(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(4-chlorophenyl)-3-methyl-5-thieno[2,3-c]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-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C22H17ClN4O4S2 MolecularWeight: 500.97778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN4O4S2/c1-3-30-22(29)18-16(15(9-24)19(25)33-18)10-31-21(28)17-8-14-11(2)26-27(20(14)32-17)13-6-4-12(23)5-7-13/h4-8H,3,10,25H2,1-2H3