(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C17H13ClN2O6S MolecularWeight: 408.81292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C17H13ClN2O6S/c1-2-23-17(22)14-10(9(5-19)15(20)27-14)6-24-16(21)8-3-11(18)13-12(4-8)25-7-26-13/h3-4H,2,6-7,20H2,1H3