[2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[(2-ethoxycarbonyl-5-phenyl-3-thienyl)amino]-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[(2-ethoxycarbonyl-5-phenyl-3-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-[(2-carbethoxy-5-phenyl-3-thienyl)amino]-2-keto-ethyl] ester Formula: C27H24ClN3O5S MolecularWeight: 538.01456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H24ClN3O5S/c1-3-35-27(34)24-20(14-21(37-24)19-12-8-5-9-13-19)29-22(32)16-36-26(33)23-17(2)30-31(25(23)28)15-18-10-6-4-7-11-18/h4-14H,3,15-16H2,1-2H3,(H,29,32)