ethyl 5-azanyl-3-[[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H19ClN4O4S2 MolecularWeight: 478.97226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

InChI

InChI=1S/C20H19ClN4O4S2/c1-3-29-19(27)16-14(13(9-22)17(23)31-16)10-30-20-24-15-8-11(21)4-5-12(15)18(26)25(20)6-7-28-2/h4-5,8H,3,6-7,10,23H2,1-2H3