[5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl 1,3-benzodioxole-5-carboxylate Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl ester IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC)N

InChI

InChI=1S/C18H18N2O7S/c1-3-24-18(23)13-10(14(16(21)20-2)28-15(13)19)7-25-17(22)9-4-5-11-12(6-9)27-8-26-11/h4-6H,3,7-8,19H2,1-2H3,(H,20,21)