(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 4-oxidanylidenechromene-2-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C19H14N2O6S MolecularWeight: 398.38926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=O)C3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C19H14N2O6S/c1-2-25-19(24)16-12(11(8-20)17(21)28-16)9-26-18(23)15-7-13(22)10-5-3-4-6-14(10)27-15/h3-7H,2,9,21H2,1H3