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

Systemtic Name: methyl 2-[2-[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

InChI=1S/C22H22N2O4S/c1-4-15-9-11-16(12-10-15)20(26)14(2)29-22-23-18-8-6-5-7-17(18)21(27)24(22)13-19(25)28-3/h5-12,14H,4,13H2,1-3H3/t14-/m0/s1