methyl 2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: methyl 2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl 2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanoate CAS Name: 2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanoate Traditional Name: 2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=CC=CC=C2C(=O)N1CCCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC)SC1=NC2=CC=CC=C2C(=O)N1CCCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-15(20(25)26-2)27-21-22-18-13-7-6-12-17(18)19(24)23(21)14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13,15H,8,11,14H2,1-2H3