methyl 5-(4-chlorophenyl)carbonyl-4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(4-chlorophenyl)carbonyl-4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylate Openeye Name: methyl 5-(4-chlorobenzoyl)-4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-chlorobenzoyl)-4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylate Traditional Name: 5-(4-chlorobenzoyl)-4-(2-thienyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NNC(C1C2=CC=CS2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=NNC(C1C2=CC=CS2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN2O3S/c1-22-16(21)14-12(11-3-2-8-23-11)13(18-19-14)15(20)9-4-6-10(17)7-5-9/h2-8,12-13,18H,1H3