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

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H24N2O3S/c25-21(23-12-13-28-16-17-6-2-1-3-7-17)15-27-22(26)11-10-18-14-24-20-9-5-4-8-19(18)20/h1-9,14,24H,10-13,15-16H2,(H,23,25)