COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)[C@H]1C[C@@H](O)C1

Name: 5-(3,3-Dimethyl-but-1-ynyl)-3-[(cis-3-hydroxy-cyclobutyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester

IUPAC: methyl 5-(3,3-dimethylbut-1-ynyl)-3-[(3-hydroxycyclobutyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate

SMILES: COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)[C@H]1C[C@@H](O)C1

Canonical SMILES: CC1CCC(CC1)C(=O)N(C2CC(C2)O)C3=C(SC(=C3)C#CC(C)(C)C)C(=O)OC

Molecular formula: C24H33NO4S

Molecular weight: 431.60

InChIKey: BUJXTVFXCLFJEN-UHFFFAOYSA-N

InChI:

InChI=1S/C24H33NO4S/c1-15-6-8-16(9-7-15)22(27)25(17-12-18(26)13-17)20-14-19(10-11-24(2,3)4)30-21(20)23(28)29-5/h14-18,26H,6-9,12-13H2,1-5H3

PubChem CID: 66850438 →

Synonyms

SCHEMBL940150SCHEMBL940151SCHEMBL940152BUJXTVFXCLFJEN-VHKIVQRHSA-N5-(3,3-Dimethyl-but-1-ynyl)-3-[(cis-3-hydroxy-cyclobutyl)-(trans-4-methyl-cyclohexancarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester5-(3,3-Dimethyl-but-1-ynyl)-3-[(cis-3-hydroxy-cyclobutyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester

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