methyl 4-[2-(4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-oxo-3-phenethyl-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-3-phenethyl-2-quinazolinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-oxo-3-phenethylquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-3-phenethyl-quinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4S/c1-33-25(32)19-11-13-20(14-12-19)27-23(30)17-34-26-28-22-10-6-5-9-21(22)24(31)29(26)16-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,27,30)