O4-ethyl O2-methyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(piperonyloylamino)thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C18H17NO7S MolecularWeight: 391.39508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17NO7S/c1-4-24-17(21)13-9(2)14(18(22)23-3)27-16(13)19-15(20)10-5-6-11-12(7-10)26-8-25-11/h5-7H,4,8H2,1-3H3,(H,19,20)