methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(piperonyloylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H19NO7S MolecularWeight: 441.45376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H19NO7S/c1-26-15-6-4-12(8-17(15)27-2)14-10-31-21(19(14)22(25)28-3)23-20(24)13-5-7-16-18(9-13)30-11-29-16/h4-10H,11H2,1-3H3,(H,23,24)