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

Systemtic Name: methyl 3-[2-[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl]thio]quinazolin-3-yl]propionic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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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)N2CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C22H22N2O4S/c1-14-8-10-16(11-9-14)20(26)15(2)29-22-23-18-7-5-4-6-17(18)21(27)24(22)13-12-19(25)28-3/h4-11,15H,12-13H2,1-3H3/t15-/m0/s1