ethyl 6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(2-ethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(2-ethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 6-[[2-(4-bromoanilino)-2-oxoethyl]thio]-5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-5-cyano-2-keto-4-o-phenetyl-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C25H24BrN3O5S MolecularWeight: 558.44416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)C(=O)OCC

InChI

InChI=1S/C25H24BrN3O5S/c1-3-33-19-8-6-5-7-17(19)21-18(13-27)24(29-23(31)22(21)25(32)34-4-2)35-14-20(30)28-16-11-9-15(26)10-12-16/h5-12,21-22H,3-4,14H2,1-2H3,(H,28,30)(H,29,31)