[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)thio]acetic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6-keto-4-methyl-1H-pyridin-2-yl)thio]acetic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C

InChI

InChI=1S/C20H17N3O4S/c1-11-7-17(25)23-20(14(11)8-21)28-10-18(26)27-9-16(24)19-12(2)22-15-6-4-3-5-13(15)19/h3-7,22H,9-10H2,1-2H3,(H,23,25)