ethyl 5-azanyl-3-[2-[2,4-bis(oxidanylidene)quinazolin-1-yl]ethanoyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[2-[2,4-bis(oxidanylidene)quinazolin-1-yl]ethanoyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(2,4-dioxo-1-quinazolinyl)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(2,4-diketoquinazolin-1-yl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H16N4O6S MolecularWeight: 428.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CN2C3=CC=CC=C3C(=O)NC2=O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CN2C3=CC=CC=C3C(=O)NC2=O

InChI

InChI=1S/C19H16N4O6S/c1-2-28-18(26)15-12(11(7-20)16(21)30-15)9-29-14(24)8-23-13-6-4-3-5-10(13)17(25)22-19(23)27/h3-6H,2,8-9,21H2,1H3,(H,22,25,27)