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

Systemtic Name: methyl 3-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[(2,5-dimethylphenyl)methylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[(2,5-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(=C(C=C1)C)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

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

InChI

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