(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-phenylpyrazole-4-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-phenylpyrazole-4-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 1-phenylpyrazole-4-carboxylate CAS Name: 1-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-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C19H16N4O4S MolecularWeight: 396.41974

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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=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O4S/c1-2-26-19(25)16-15(14(8-20)17(21)28-16)11-27-18(24)12-9-22-23(10-12)13-6-4-3-5-7-13/h3-7,9-10H,2,11,21H2,1H3