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

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

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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)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H20N2O6S/c1-13-18(23(28)29-2)22(25-20(26)15-8-9-16-17(10-15)31-12-30-16)32-19(13)21(27)24-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,24,27)(H,25,26)