ethyl 2-[3-(3,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpentanoate

Systemtic Name: ethyl 2-[3-(3,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpentanoate Openeye Name: ethyl 2-[3-(3,4-dichlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylpentanoate CAS Name: 2-[[3-(3,4-dichlorophenyl)-4-oxo-2-quinazolinyl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanoate Traditional Name: 2-[[3-(3,4-dichlorophenyl)-4-keto-quinazolin-2-yl]thio]valeric acid ethyl ester Formula: C21H20Cl2N2O3S MolecularWeight: 451.3661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCCC(C(=O)OCC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O3S/c1-3-7-18(20(27)28-4-2)29-21-24-17-9-6-5-8-14(17)19(26)25(21)13-10-11-15(22)16(23)12-13/h5-6,8-12,18H,3-4,7H2,1-2H3