methyl 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethanoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethanoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-1,2-dioxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-keto-2-(piperonylamino)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C18H18N2O6S/c1-9-10(2)27-17(14(9)18(23)24-3)20-16(22)15(21)19-7-11-4-5-12-13(6-11)26-8-25-12/h4-6H,7-8H2,1-3H3,(H,19,21)(H,20,22)