methyl 3-[[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoyl]benzoate

Systemtic Name: methyl 3-[[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoyl]benzoate Openeye Name: methyl 3-[[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]carbamoyl]benzoate CAS Name: 3-[[[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]carbamoyl]benzoate Traditional Name: 3-[[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]carbamoyl]benzoic acid methyl ester Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC2=CC=NN2CC3=CC(=CS3)Br

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC2=CC=NN2CC3=CC(=CS3)Br

InChI

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