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

Systemtic Name: (3-methoxycarbonylfuran-2-yl)methyl 3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (3-methoxycarbonyl-2-furyl)methyl 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolecarboxylic acid (3-methoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (3-methoxycarbonylfuran-2-yl)methyl 1-benzyl-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (3-carbomethoxy-2-furyl)methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=C(C=CO3)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=C(C=CO3)C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O5S/c1-13-16-10-18(21(25)28-12-17-15(8-9-27-17)20(24)26-2)29-19(16)23(22-13)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3