ethyl 4-[2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(6-chloro-2-phenyl-quinazolin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(6-chloro-2-phenyl-4-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-chloro-2-phenyl-quinazolin-4-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H20ClN3O3S MolecularWeight: 477.9626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H20ClN3O3S/c1-2-32-25(31)17-8-11-19(12-9-17)27-22(30)15-33-24-20-14-18(26)10-13-21(20)28-23(29-24)16-6-4-3-5-7-16/h3-14H,2,15H2,1H3,(H,27,30)