1,3-benzodioxol-5-yl 1-[(2-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 1-[(2-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 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 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 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 1,3-benzodioxol-5-yl ester Formula: C21H15ClN2O4S MolecularWeight: 426.8728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5Cl

InChI

InChI=1S/C21H15ClN2O4S/c1-12-15-9-19(21(25)28-14-6-7-17-18(8-14)27-11-26-17)29-20(15)24(23-12)10-13-4-2-3-5-16(13)22/h2-9H,10-11H2,1H3