methyl 5-cyano-1-[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-1-[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-1-[(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl]-6-oxo-pyridine-3-carboxylate CAS Name: 5-cyano-1-[(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-1-[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl]-6-oxopyridine-3-carboxylate Traditional Name: 5-cyano-1-[(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl]-6-keto-nicotinic acid methyl ester Formula: C16H12N4O4S MolecularWeight: 356.35588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CN2C=C(C=C(C2=O)C#N)C(=O)OC

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C#N)C(=O)CN2C=C(C=C(C2=O)C#N)C(=O)OC

InChI

InChI=1S/C16H12N4O4S/c1-9-8-25-14(19-9)12(5-18)13(21)7-20-6-11(16(23)24-2)3-10(4-17)15(20)22/h3,6,8,12H,7H2,1-2H3/t12-/m0/s1