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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-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 (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H16N2O6S/c1-2-23-18(22)15-11(10(7-19)16(20)27-15)8-25-17(21)14-9-24-12-5-3-4-6-13(12)26-14/h3-6,14H,2,8-9,20H2,1H3/t14-/m1/s1