ethyl 2-[2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[3-(4-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[4-oxo-3-(4-propan-2-ylphenyl)-2-quinazolinyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(4-keto-3-p-cumenyl-quinazolin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C28H27N3O4S/c1-4-35-27(34)22-10-6-8-12-24(22)29-25(32)17-36-28-30-23-11-7-5-9-21(23)26(33)31(28)20-15-13-19(14-16-20)18(2)3/h5-16,18H,4,17H2,1-3H3,(H,29,32)