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

Systemtic Name: methyl 2-[2-[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[[(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl]thio]quinazolin-3-yl]acetic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

InChI=1S/C21H20N2O4S/c1-13-8-10-15(11-9-13)19(25)14(2)28-21-22-17-7-5-4-6-16(17)20(26)23(21)12-18(24)27-3/h4-11,14H,12H2,1-3H3/t14-/m0/s1