tert-butyl 2-[2-[(3-ethoxycarbonylphenyl)amino]-1-methylsulfanyl-2-oxidanylidene-ethyl]-5-phenylmethoxy-2,3-dihydroindole-1-carboxylate

Systemtic Name: tert-butyl 2-[2-[(3-ethoxycarbonylphenyl)amino]-1-methylsulfanyl-2-oxidanylidene-ethyl]-5-phenylmethoxy-2,3-dihydroindole-1-carboxylate Openeye Name: tert-butyl 5-benzyloxy-2-[2-(3-ethoxycarbonylanilino)-1-methylsulfanyl-2-oxo-ethyl]indoline-1-carboxylate CAS Name: 2-[2-(3-ethoxycarbonylanilino)-1-(methylthio)-2-oxoethyl]-5-phenylmethoxy-2,3-dihydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(3-ethoxycarbonylanilino)-1-methylsulfanyl-2-oxoethyl]-5-phenylmethoxy-2,3-dihydroindole-1-carboxylate Traditional Name: 5-benzoxy-2-[2-(3-carbethoxyanilino)-2-keto-1-(methylthio)ethyl]indoline-1-carboxylic acid tert-butyl ester Formula: C32H36N2O6S MolecularWeight: 576.70304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(C2CC3=C(N2C(=O)OC(C)(C)C)C=CC(=C3)OCC4=CC=CC=C4)SC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(C2CC3=C(N2C(=O)OC(C)(C)C)C=CC(=C3)OCC4=CC=CC=C4)SC

InChI

InChI=1S/C32H36N2O6S/c1-6-38-30(36)22-13-10-14-24(17-22)33-29(35)28(41-5)27-19-23-18-25(39-20-21-11-8-7-9-12-21)15-16-26(23)34(27)31(37)40-32(2,3)4/h7-18,27-28H,6,19-20H2,1-5H3,(H,33,35)