methyl 3-[2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H18ClN3O3S/c1-30-23(29)22-19(11-12-31-22)25-20(28)13-16-14-27(18-5-3-2-4-6-18)26-21(16)15-7-9-17(24)10-8-15/h2-12,14H,13H2,1H3,(H,25,28)