methyl 3-[[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSCCC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSCCC(=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-3-27-16-10-8-15(9-11-16)23-19(14-28-13-12-20(24)26-2)22-18-7-5-4-6-17(18)21(23)25/h4-11H,3,12-14H2,1-2H3