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

Systemtic Name: ethyl 4-aminocarbonyl-5-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-carbamoyl-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate Traditional Name: 4-carbamoyl-3-methyl-5-(piperonyloylamino)thiophene-2-carboxylic acid ethyl ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)N)C

InChI

InChI=1S/C17H16N2O6S/c1-3-23-17(22)13-8(2)12(14(18)20)16(26-13)19-15(21)9-4-5-10-11(6-9)25-7-24-10/h4-6H,3,7H2,1-2H3,(H2,18,20)(H,19,21)