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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H18N4O4S/c1-3-27-20(26)17-14(13(9-21)18(22)29-17)10-28-19(25)16-8-15(23-24-16)12-6-4-11(2)5-7-12/h4-8H,3,10,22H2,1-2H3,(H,23,24)