ethyl 4-[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(2-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoate CAS Name: 4-[[3-(2-chlorophenyl)-4-oxo-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[[3-(2-chlorophenyl)-4-keto-quinazolin-2-yl]thio]butyric acid ethyl ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-2-26-18(24)12-7-13-27-20-22-16-10-5-3-8-14(16)19(25)23(20)17-11-6-4-9-15(17)21/h3-6,8-11H,2,7,12-13H2,1H3