methyl 3-[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NC(CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NC(CC(=O)OC)C3=CC=CS3

InChI

InChI=1S/C19H18BrN3O3S/c1-12-15(11-21-23(12)14-7-5-13(20)6-8-14)19(25)22-16(10-18(24)26-2)17-4-3-9-27-17/h3-9,11,16H,10H2,1-2H3,(H,22,25)