[2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate

Systemtic Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate Openeye Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [2-(1-benzamido-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H17BrN2O4S MolecularWeight: 461.32898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C20H17BrN2O4S/c1-12-10-15(16(24)11-27-20(26)17-8-9-18(21)28-17)13(2)23(12)22-19(25)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,22,25)