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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 4-methyl-5-(phenylcarbamoyl)-2-(piperonyloylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O6S/c1-12-17(22(27)28-2)21(31-18(12)20(26)23-14-6-4-3-5-7-14)24-19(25)13-8-9-15-16(10-13)30-11-29-15/h3-10H,11H2,1-2H3,(H,23,26)(H,24,25)