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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=CSC(=N2)NC(=O)COC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=CSC(=N2)NC(=O)COC(=O)C3=CN=CC=C3

InChI

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