(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-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-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H22N4O4S/c1-4-29-22(28)19-17(16(10-23)20(24)31-19)12-30-21(27)18-13(2)25-26(14(18)3)11-15-8-6-5-7-9-15/h5-9H,4,11-12,24H2,1-3H3