[2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-[[p-tolyl(2-thienyl)methyl]amino]ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-keto-2-[[p-tolyl(2-thienyl)methyl]amino]ethyl] ester Formula: C19H17BrN2O3S MolecularWeight: 433.31888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)COC(=O)C3=CC(=CN3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)COC(=O)C3=CC(=CN3)Br

InChI

InChI=1S/C19H17BrN2O3S/c1-12-4-6-13(7-5-12)18(16-3-2-8-26-16)22-17(23)11-25-19(24)15-9-14(20)10-21-15/h2-10,18,21H,11H2,1H3,(H,22,23)