[4-[[1-(4-aminocarbonylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-ethoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[[1-(4-aminocarbonylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-ethoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[[1-(4-carbamoylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-ethoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[[1-(4-carbamoylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[[1-(4-carbamoylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[[1-(4-carbamoylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-ethoxy-phenyl] ester Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)N)C)OC(=O)C4=CC=CS4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)N)C)OC(=O)C4=CC=CS4

InChI

InChI=1S/C25H21N3O5S/c1-3-32-21-14-16(6-11-20(21)33-25(31)22-5-4-12-34-22)13-19-15(2)27-28(24(19)30)18-9-7-17(8-10-18)23(26)29/h4-14H,3H2,1-2H3,(H2,26,29)