(2-butoxy-2-oxidanylidene-ethyl) 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2-butoxy-2-oxo-ethyl) 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(3-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 1-(3-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (2-butoxy-2-keto-ethyl) ester Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC(=O)C1=CC2=C(S1)N(N=C2C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCOC(=O)COC(=O)C1=CC2=C(S1)N(N=C2C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H19ClN2O4S/c1-3-4-8-25-17(23)11-26-19(24)16-10-15-12(2)21-22(18(15)27-16)14-7-5-6-13(20)9-14/h5-7,9-10H,3-4,8,11H2,1-2H3