methyl 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: methyl 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: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H22BrN3O5S MolecularWeight: 544.41758

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrN3O5S/c1-3-33-18-7-5-4-6-16(18)20-17(12-26)23(28-22(30)21(20)24(31)32-2)34-13-19(29)27-15-10-8-14(25)9-11-15/h4-11,20-21H,3,13H2,1-2H3,(H,27,29)(H,28,30)