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

Systemtic Name: [1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [1-[[4-(4-bromophenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-2-keto-1-methyl-ethyl] ester Formula: C18H13BrClN3O3S MolecularWeight: 466.73612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)Br)OC(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)Br)OC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C18H13BrClN3O3S/c1-10(26-17(25)12-6-7-21-15(20)8-12)16(24)23-18-22-14(9-27-18)11-2-4-13(19)5-3-11/h2-10H,1H3,(H,22,23,24)