[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[5-(2-acetamidoethyl)-2-thienyl]-2-oxo-ethyl] 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-methylphenyl)-3-phenyl-4-pyrazolecarboxylic acid [2-[5-(2-acetamidoethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate Traditional Name: 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylic acid [2-[5-(2-acetamidoethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(S4)CCNC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(S4)CCNC(=O)C

InChI

InChI=1S/C27H25N3O4S/c1-18-8-10-21(11-9-18)30-16-23(26(29-30)20-6-4-3-5-7-20)27(33)34-17-24(32)25-13-12-22(35-25)14-15-28-19(2)31/h3-13,16H,14-15,17H2,1-2H3,(H,28,31)