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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-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-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-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=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

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