ethyl 5-azanyl-3-[[1,4-bis(oxidanyl)naphthalen-2-yl]carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[1,4-bis(oxidanyl)naphthalen-2-yl]carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(1,4-dihydroxy-2-naphthalenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(1,4-dihydroxy-2-naphthoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H16N2O6S MolecularWeight: 412.41584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

InChI

InChI=1S/C20H16N2O6S/c1-2-27-20(26)17-14(13(8-21)18(22)29-17)9-28-19(25)12-7-15(23)10-5-3-4-6-11(10)16(12)24/h3-7,23-24H,2,9,22H2,1H3