methyl 2-[2-[3-(3-methylphenoxy)propylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[3-(3-methylphenoxy)propylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[3-(3-methylphenoxy)propylsulfanyl]-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[3-(3-methylphenoxy)propylthio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-(3-methylphenoxy)propylsulfanyl]-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[3-(3-methylphenoxy)propylthio]quinazolin-3-yl]acetic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-15-7-5-8-16(13-15)27-11-6-12-28-21-22-18-10-4-3-9-17(18)20(25)23(21)14-19(24)26-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3