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

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-(1H-indol-3-yl)ethanoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-(1H-indol-3-yl)acetate CAS Name: 2-(1H-indol-3-yl)acetic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate Traditional Name: 2-(1H-indol-3-yl)acetic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)CC2=CNC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O3S/c24-20(22-10-11-27-15-16-6-2-1-3-7-16)14-26-21(25)12-17-13-23-19-9-5-4-8-18(17)19/h1-9,13,23H,10-12,14-15H2,(H,22,24)