ethyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(2-furanyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC=CO2)C#N)SCC(=O)N)C

InChI

InChI=1S/C16H17N3O4S/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/h4-6,14,19H,3,8H2,1-2H3,(H2,18,20)/t14-/m0/s1