methyl 3-[[1-(3-bromophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-(3-bromophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-(3-bromophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[1-(3-bromophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[1-(3-bromophenyl)-5-keto-pyrrolidine-3-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H15BrN2O4S/c1-24-17(23)15-13(5-6-25-15)19-16(22)10-7-14(21)20(9-10)12-4-2-3-11(18)8-12/h2-6,8,10H,7,9H2,1H3,(H,19,22)