(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2C(OC3=CC=CC=C3O2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2C(OC3=CC=CC=C3O2)C

InChI

InChI=1S/C19H18N2O6S/c1-3-24-19(23)16-12(11(8-20)17(21)28-16)9-25-18(22)15-10(2)26-13-6-4-5-7-14(13)27-15/h4-7,10,15H,3,9,21H2,1-2H3