ethyl 2-chloranyl-5-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-chloro-5-[[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-chloro-5-[[1-oxo-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H20ClN3O4S MolecularWeight: 493.962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H20ClN3O4S/c1-2-33-24(32)19-14-16(12-13-20(19)26)27-22(30)15-34-25-28-21-11-7-6-10-18(21)23(31)29(25)17-8-4-3-5-9-17/h3-14H,2,15H2,1H3,(H,27,30)