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

Systemtic Name: [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: [(1R)-1-methyl-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 [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 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 [(1R)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)O[C@H](C)C(=O)C2=C(NC3=CC=CC=C32)C

InChI

InChI=1S/C21H19N3O4S/c1-11-8-17(25)24-21(15(11)9-22)29-10-18(26)28-13(3)20(27)19-12(2)23-16-7-5-4-6-14(16)19/h4-8,13,23H,10H2,1-3H3,(H,24,25)/t13-/m1/s1