[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C23H26N2O3S/c26-22(24-13-14-29-17-18-7-2-1-3-8-18)16-28-23(27)12-6-9-19-15-25-21-11-5-4-10-20(19)21/h1-5,7-8,10-11,15,25H,6,9,12-14,16-17H2,(H,24,26)