methyl (4R,5R)-5-benzamido-4-thiophen-2-yl-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: methyl (4R,5R)-5-benzamido-4-thiophen-2-yl-3,4-dihydropyrazole-5-carboxylate Openeye Name: methyl (4R,5R)-5-benzamido-4-(2-thienyl)-3,4-dihydropyrazole-5-carboxylate CAS Name: (4R,5R)-5-benzamido-4-thiophen-2-yl-3,4-dihydropyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5R)-5-benzamido-4-thiophen-2-yl-3,4-dihydropyrazole-5-carboxylate Traditional Name: (3R,4R)-3-benzamido-4-(2-thienyl)-1-pyrazoline-3-carboxylic acid methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CN=N1)C2=CC=CS2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@]1([C@@H](CN=N1)C2=CC=CS2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O3S/c1-22-15(21)16(18-14(20)11-6-3-2-4-7-11)12(10-17-19-16)13-8-5-9-23-13/h2-9,12H,10H2,1H3,(H,18,20)/t12-,16+/m0/s1