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

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 1-[(2-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2-butoxy-2-oxo-ethyl) 1-[(2-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 1-[(2-chlorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (2-butoxy-2-keto-ethyl) ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC(=O)C1=CC2=C(S1)N(N=C2C)CC3=CC=CC=C3Cl

Isomeric SMILES

CCCCOC(=O)COC(=O)C1=CC2=C(S1)N(N=C2C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H21ClN2O4S/c1-3-4-9-26-18(24)12-27-20(25)17-10-15-13(2)22-23(19(15)28-17)11-14-7-5-6-8-16(14)21/h5-8,10H,3-4,9,11-12H2,1-2H3