C=C(C)C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SS(=O)(=O)c1ccc(C)cc1

Name: 2-[4-(p-toluenesulphonylthio)-3-phenoxyacetamido-2-oxoazetidin-1-yl]-3-methylene-butyric acid p-nitrobenzyl ester

IUPAC: (4-nitrophenyl)methyl 3-methyl-2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoate

SMILES: C=C(C)C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SS(=O)(=O)c1ccc(C)cc1

Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)SC2C(C(=O)N2C(C(=C)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)COC4=CC=CC=C4

Summenformel: C30H29N3O9S2

Molare Masse: 639.70

InChIKey: WKRPOKPGPPVDPN-UHFFFAOYSA-N

InChI:

InChI=1S/C30H29N3O9S2/c1-19(2)27(30(36)42-17-21-11-13-22(14-12-21)33(37)38)32-28(35)26(31-25(34)18-41-23-7-5-4-6-8-23)29(32)43-44(39,40)24-15-9-20(3)10-16-24/h4-16,26-27,29H,1,17-18H2,2-3H3,(H,31,34)

PubChem CID: 12804817 →

Synonyme

SCHEMBL9745625WKRPOKPGPPVDPN-UHFFFAOYSA-N2-[4-(p-toluenesulphonylthio)-3-phenoxyacetamido-2-oxoazetidin-1-yl]-3-methylene-butyric acid p-nitrobenzyl ester2-[4-(p-toluenesulphonylthio)-3-phenoxyacetamido-2-oxoazetidin-1-yl]-3-methylenebutyric acid p-nitrobenzyl ester

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