CC1=CC[C@H](C(=O)N(c2csc(C#CC(C)(C)C)c2)[C@H]2CC[C@H](O)CC2)[C@@H](C)C1

名称: (1S,6S)-4,6-Dimethyl-cyclohex-3-ene-carboxylic acid [5-(3,3-dimethyl-but-1-ynyl)-thiophen-3-yl]-(trans-4-hydroxy-cyclohexyl)-amide

IUPAC: (1S,6S)-N-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4,6-dimethylcyclohex-3-ene-1-carboxamide

SMILES: CC1=CC[C@H](C(=O)N(c2csc(C#CC(C)(C)C)c2)[C@H]2CC[C@H](O)CC2)[C@@H](C)C1

Canonical SMILES: CC1CC(=CCC1C(=O)N(C2CCC(CC2)O)C3=CSC(=C3)C#CC(C)(C)C)C

分子式: C25H35NO2S

分子量: 413.60

InChIKey: VBJXNHZZBVDQLJ-UETMWJFSSA-N

InChI:

InChI=1S/C25H35NO2S/c1-17-6-11-23(18(2)14-17)24(28)26(19-7-9-21(27)10-8-19)20-15-22(29-16-20)12-13-25(3,4)5/h6,15-16,18-19,21,23,27H,7-11,14H2,1-5H3/t18-,19?,21?,23-/m0/s1

PubChem CID: 58114008 →

同義語

SCHEMBL9961555VBJXNHZZBVDQLJ-YDWJEQILSA-N(1S,6S)-4,6-dimethyl-cyclohex-3-ene-carboxylic acid [5-(3,3-dimethyl-but-1-ynyl)-thiophen-3-yl]-(trans-4-hydroxy-cyclohexyl)-amide

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