[2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [2-(1-methyl-2-oxo-indolin-5-yl)-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [2-keto-2-(2-keto-1-methyl-indolin-5-yl)ethyl] ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC2=C(C=C1)N(C(=O)C2)C)SC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC2=C(C=C1)N(C(=O)C2)C)SC3=CC=CC=C3

InChI

InChI=1S/C20H19NO4S/c1-13(26-16-6-4-3-5-7-16)20(24)25-12-18(22)14-8-9-17-15(10-14)11-19(23)21(17)2/h3-10,13H,11-12H2,1-2H3/t13-/m0/s1