ethyl 4-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C19H22ClN3O4S MolecularWeight: 423.91368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC=C

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC=C

InChI

InChI=1S/C19H22ClN3O4S/c1-3-10-23-18(26)14-8-7-13(20)11-15(14)22-19(23)28-12-16(24)21-9-5-6-17(25)27-4-2/h3,7-8,11H,1,4-6,9-10,12H2,2H3,(H,21,24)