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

Systemtic Name: methyl 2-[(5-aminocarbonyl-3-cyano-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(5-carbamoyl-3-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetate CAS Name: 2-[(5-carbamoyl-3-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-carbamoyl-3-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetate Traditional Name: 2-[(5-carbamoyl-3-cyano-2-keto-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)thio]acetic acid methyl ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(C(C(=O)N1)C#N)C2=CC=CC=C2)C(=O)N

Isomeric SMILES

COC(=O)CSC1=C(C(C(C(=O)N1)C#N)C2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C16H15N3O4S/c1-23-11(20)8-24-16-13(14(18)21)12(9-5-3-2-4-6-9)10(7-17)15(22)19-16/h2-6,10,12H,8H2,1H3,(H2,18,21)(H,19,22)