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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-(piperonyloylamino)-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17NO5S/c1-12-3-5-13(6-4-12)15-10-28-20(18(15)21(24)25-2)22-19(23)14-7-8-16-17(9-14)27-11-26-16/h3-10H,11H2,1-2H3,(H,22,23)