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

Systemtic Name: ethyl 4-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC=C

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC=C

InChI

InChI=1S/C19H23N3O4S/c1-3-12-22-18(25)14-8-5-6-9-15(14)21-19(22)27-13-16(23)20-11-7-10-17(24)26-4-2/h3,5-6,8-9H,1,4,7,10-13H2,2H3,(H,20,23)