ethyl 4-(3-aminocarbonyl-6-azanyl-5-cyano-4-phenyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(3-aminocarbonyl-6-azanyl-5-cyano-4-phenyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(6-amino-3-carbamoyl-5-cyano-4-phenyl-2-pyridyl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(6-amino-3-carbamoyl-5-cyano-4-phenyl-2-pyridinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(6-amino-3-carbamoyl-5-cyano-4-phenylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(6-amino-3-carbamoyl-5-cyano-4-phenyl-2-pyridyl)thio]-3-keto-butyric acid ethyl ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c1-2-27-14(25)8-12(24)10-28-19-16(18(22)26)15(11-6-4-3-5-7-11)13(9-20)17(21)23-19/h3-7H,2,8,10H2,1H3,(H2,21,23)(H2,22,26)