[2-methoxy-4-[(E)-[3-methyl-5-oxidanylidene-1-(4-propan-2-yloxycarbonylphenyl)pyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate

Systemtic Name: [2-methoxy-4-[(E)-[3-methyl-5-oxidanylidene-1-(4-propan-2-yloxycarbonylphenyl)pyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-[1-(4-isopropoxycarbonylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-methoxy-4-[(E)-[3-methyl-5-oxo-1-[4-[oxo(propan-2-yloxy)methyl]phenyl]-4-pyrazolylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[3-methyl-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-[1-(4-isopropoxycarbonylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-methoxy-phenyl] ester Formula: C27H24N2O6S MolecularWeight: 504.55426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC)C4=CC=C(C=C4)C(=O)OC(C)C

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC)C4=CC=C(C=C4)C(=O)OC(C)C

InChI

InChI=1S/C27H24N2O6S/c1-16(2)34-26(31)19-8-10-20(11-9-19)29-25(30)21(17(3)28-29)14-18-7-12-22(23(15-18)33-4)35-27(32)24-6-5-13-36-24/h5-16H,1-4H3/b21-14+