[2-[[4-(4-bromophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[[4-(4-bromophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[4-(4-bromophenyl)sulfanylanilino]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-[4-[(4-bromophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-bromophenyl)sulfanylanilino]-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-[4-[(4-bromophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C20H14BrClN2O3S MolecularWeight: 477.75876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=C(N=C1)Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H14BrClN2O3S/c21-13-3-7-15(8-4-13)28-16-9-5-14(6-10-16)24-18(25)12-27-20(26)17-2-1-11-23-19(17)22/h1-11H,12H2,(H,24,25)