ethyl 4-(2-chlorophenyl)-5-cyano-6-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-5-cyano-6-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-5-cyano-6-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-chlorophenyl)-5-cyano-6-[[2-(diethylamino)-2-oxoethyl]thio]-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-5-cyano-6-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-5-cyano-6-[[2-(diethylamino)-2-keto-ethyl]thio]-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C27H28ClN3O3S MolecularWeight: 510.04752

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3Cl)C#N

Isomeric SMILES

CCN(CC)C(=O)CSC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C27H28ClN3O3S/c1-4-31(5-2)22(32)17-35-26-20(16-29)23(19-14-10-11-15-21(19)28)24(27(33)34-6-3)25(30-26)18-12-8-7-9-13-18/h7-15,23,30H,4-6,17H2,1-3H3