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

Systemtic Name: ethyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-(2-furyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(2-furanyl)-2-phenyl-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-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-4-(2-furyl)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC=CO2)C#N)SCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O4S/c1-2-27-21(26)18-17(15-9-6-10-28-15)14(11-22)20(29-12-16(23)25)24-19(18)13-7-4-3-5-8-13/h3-10,17,24H,2,12H2,1H3,(H2,23,25)/t17-/m0/s1