methyl 4-[2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: methyl 4-[2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]acetyl]amino]butyric acid methyl ester Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C

InChI

InChI=1S/C18H20ClN3O4S/c1-3-9-22-17(25)13-10-12(19)6-7-14(13)21-18(22)27-11-15(23)20-8-4-5-16(24)26-2/h3,6-7,10H,1,4-5,8-9,11H2,2H3,(H,20,23)