[2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-5-methyl-2-thienyl]amino]-2-oxo-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-5-methyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-2-oxoethyl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-[(3-carbethoxy-5-methyl-4-piperonyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C31H27N3O7S2 MolecularWeight: 617.69198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)COC(=O)C4=CC5=C(S4)N(N=C5C)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)COC(=O)C4=CC5=C(S4)N(N=C5C)C6=CC=CC=C6

InChI

InChI=1S/C31H27N3O7S2/c1-4-38-31(37)27-22(12-19-10-11-23-24(13-19)41-16-40-23)18(3)42-28(27)32-26(35)15-39-30(36)25-14-21-17(2)33-34(29(21)43-25)20-8-6-5-7-9-20/h5-11,13-14H,4,12,15-16H2,1-3H3,(H,32,35)