methyl 2-[2-[1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[1-(4-acetamidophenyl)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(4-acetamidophenyl)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

InChI=1S/C22H21N3O5S/c1-13(20(28)15-8-10-16(11-9-15)23-14(2)26)31-22-24-18-7-5-4-6-17(18)21(29)25(22)12-19(27)30-3/h4-11,13H,12H2,1-3H3,(H,23,26)