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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-methyl-5-[(2-methylanilino)-oxomethyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 4-methyl-5-(o-tolylcarbamoyl)-2-(piperonyloylamino)thiophene-3-carboxylic acid methyl ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OC)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OC)C

InChI

InChI=1S/C23H20N2O6S/c1-12-6-4-5-7-15(12)24-21(27)19-13(2)18(23(28)29-3)22(32-19)25-20(26)14-8-9-16-17(10-14)31-11-30-16/h4-10H,11H2,1-3H3,(H,24,27)(H,25,26)