(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-methylphenyl)-3-phenyl-4-pyrazolecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate Traditional Name: 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H22N4O4S/c1-3-33-26(32)23-21(19(13-27)24(28)35-23)15-34-25(31)20-14-30(18-11-9-16(2)10-12-18)29-22(20)17-7-5-4-6-8-17/h4-12,14H,3,15,28H2,1-2H3