[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[[4-(4-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C17H12BrN3O3S MolecularWeight: 418.26448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H12BrN3O3S/c18-13-5-3-11(4-6-13)14-10-25-17(20-14)21-15(22)9-24-16(23)12-2-1-7-19-8-12/h1-8,10H,9H2,(H,20,21,22)