[2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[3-(2-methylthiazol-4-yl)anilino]-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[3-(2-methyl-4-thiazolyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-keto-2-[3-(2-methylthiazol-4-yl)anilino]ethyl] ester Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)COC(=O)C3=CC(=CN3)Br

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)COC(=O)C3=CC(=CN3)Br

InChI

InChI=1S/C17H14BrN3O3S/c1-10-20-15(9-25-10)11-3-2-4-13(5-11)21-16(22)8-24-17(23)14-6-12(18)7-19-14/h2-7,9,19H,8H2,1H3,(H,21,22)