[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(4-bromophenyl)thio]-3-pyridinecarboxylic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 2-(4-bromophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(4-bromophenyl)thio]nicotinic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H17BrN2O3S/c1-14-4-8-16(9-5-14)24-19(25)13-27-21(26)18-3-2-12-23-20(18)28-17-10-6-15(22)7-11-17/h2-12H,13H2,1H3,(H,24,25)