methyl 3-[2-[(3,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[(3,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(3,5-dimethylphenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[(3,5-dimethylphenyl)methylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(3,5-dimethylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[(3,5-dimethylbenzyl)thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC)C

InChI

InChI=1S/C21H22N2O3S/c1-14-10-15(2)12-16(11-14)13-27-21-22-18-7-5-4-6-17(18)20(25)23(21)9-8-19(24)26-3/h4-7,10-12H,8-9,13H2,1-3H3