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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-oxo-3-phenyl-2-quinazolinyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-oxo-3-phenylquinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(4-keto-3-phenyl-quinazolin-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C23H18N4O3S2 MolecularWeight: 462.54402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C23H18N4O3S2/c1-2-30-22(29)19-17(16(12-24)20(25)32-19)13-31-23-26-18-11-7-6-10-15(18)21(28)27(23)14-8-4-3-5-9-14/h3-11H,2,13,25H2,1H3