ethyl 5-azanyl-4-cyano-3-[2-(2-oxidanylidenechromen-7-yl)oxyethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(2-oxidanylidenechromen-7-yl)oxyethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(2-oxochromen-7-yl)oxyacetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1-oxo-2-[(2-oxo-1-benzopyran-7-yl)oxy]ethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(2-oxochromen-7-yl)oxyacetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(2-ketochromen-7-yl)oxyacetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H16N2O7S MolecularWeight: 428.41524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

InChI

InChI=1S/C20H16N2O7S/c1-2-26-20(25)18-14(13(8-21)19(22)30-18)9-28-17(24)10-27-12-5-3-11-4-6-16(23)29-15(11)7-12/h3-7H,2,9-10,22H2,1H3