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

Systemtic Name: 1,3-benzodioxol-5-yl 3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 1-benzyl-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C21H16N2O4S MolecularWeight: 392.42774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C21H16N2O4S/c1-13-16-10-19(21(24)27-15-7-8-17-18(9-15)26-12-25-17)28-20(16)23(22-13)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3