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

Systemtic Name: ethyl (3R,4S)-2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3-cyano-6-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylate Openeye Name: ethyl (3R,4S)-2-(2-amino-2-oxo-ethyl)sulfanyl-3-cyano-6-methyl-4-(2-thienyl)-3,4-dihydropyridine-5-carboxylate CAS Name: (3R,4S)-2-[(2-amino-2-oxoethyl)thio]-3-cyano-6-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-2-(2-amino-2-oxoethyl)sulfanyl-3-cyano-6-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylate Traditional Name: (3R,4S)-2-[(2-amino-2-keto-ethyl)thio]-3-cyano-6-methyl-4-(2-thienyl)-3,4-dihydropyridine-5-carboxylic acid ethyl ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(C1C2=CC=CS2)C#N)SCC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C([C@H]([C@@H]1C2=CC=CS2)C#N)SCC(=O)N)C

InChI

InChI=1S/C16H17N3O3S2/c1-3-22-16(21)13-9(2)19-15(24-8-12(18)20)10(7-17)14(13)11-5-4-6-23-11/h4-6,10,14H,3,8H2,1-2H3,(H2,18,20)/t10-,14+/m0/s1