methyl 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[2-(3,5-dimethylphenoxy)ethylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[2-(3,5-dimethylphenoxy)ethylthio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC)C

InChI

InChI=1S/C22H24N2O4S/c1-15-12-16(2)14-17(13-15)28-10-11-29-22-23-19-7-5-4-6-18(19)21(26)24(22)9-8-20(25)27-3/h4-7,12-14H,8-11H2,1-3H3