methyl 2-[2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[3-(3,5-dimethylphenoxy)propylthio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[3-(3,5-dimethylphenoxy)propylthio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC)C

InChI

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