methyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-pyridin-3-yl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-pyridin-3-yl-3,4-dihydropyridine-3-carboxylate Openeye Name: methyl (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-methyl-4-(3-pyridyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-methyl-4-(3-pyridinyl)-3,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-pyridin-3-yl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-methyl-4-(3-pyridyl)-3,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3S/c1-9-13(16(22)23-2)14(10-4-3-5-19-7-10)11(6-17)15(20-9)24-8-12(18)21/h3-5,7,13-14H,8H2,1-2H3,(H2,18,21)/t13?,14-/m0/s1