ethyl 5-cyano-4-(furan-2-yl)-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-4-(furan-2-yl)-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-5-cyano-4-(2-furyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(2-furanyl)-6-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[2-(benzylamino)-2-keto-ethyl]thio]-5-cyano-4-(2-furyl)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C28H25N3O4S MolecularWeight: 499.5808

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)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H25N3O4S/c1-2-34-28(33)25-24(22-14-9-15-35-22)21(16-29)27(31-26(25)20-12-7-4-8-13-20)36-18-23(32)30-17-19-10-5-3-6-11-19/h3-15,24,31H,2,17-18H2,1H3,(H,30,32)