methyl 6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(2-methoxyphenyl)-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-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 6-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 6-[[2-(4-bromoanilino)-2-oxoethyl]thio]-5-cyano-4-(2-methoxyphenyl)-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-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-5-cyano-2-keto-4-(2-methoxyphenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C23H20BrN3O5S MolecularWeight: 530.391

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C23H20BrN3O5S/c1-31-17-6-4-3-5-15(17)19-16(11-25)22(27-21(29)20(19)23(30)32-2)33-12-18(28)26-14-9-7-13(24)8-10-14/h3-10,19-20H,12H2,1-2H3,(H,26,28)(H,27,29)