[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)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-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 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-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-10-5-16(23)20-18(14(10)7-19)26-9-17(24)25-8-15(22)13-6-11(2)21(4)12(13)3/h5-6H,8-9H2,1-4H3,(H,20,23)