methyl 3-[2-[2-(2-methylphenoxy)ethylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[2-(2-methylphenoxy)ethylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(2-methylphenoxy)ethylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[2-(2-methylphenoxy)ethylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(2-methylphenoxy)ethylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[2-(2-methylphenoxy)ethylthio]quinazolin-3-yl]propionic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1OCCSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

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