[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (1S,2R)-2-(2,3-dihydroindol-1-ylcarbonyl)cyclohexane-1-carboxylate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (1S,2R)-2-(2,3-dihydroindol-1-ylcarbonyl)cyclohexane-1-carboxylate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] (1S,2R)-2-(indoline-1-carbonyl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-[2,3-dihydroindol-1-yl(oxo)methyl]-1-cyclohexanecarboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] (1S,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(indoline-1-carbonyl)cyclohexanecarboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2CCCCC2C(=O)N3CCC4=CC=CC=C43)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)[C@H]2CCCC[C@H]2C(=O)N3CCC4=CC=CC=C43)SC

InChI

InChI=1S/C27H30N2O5S/c1-17(30)28-22-15-19(11-12-25(22)35-2)24(31)16-34-27(33)21-9-5-4-8-20(21)26(32)29-14-13-18-7-3-6-10-23(18)29/h3,6-7,10-12,15,20-21H,4-5,8-9,13-14,16H2,1-2H3,(H,28,30)/t20-,21+/m1/s1