methyl 4-[2-[3-(3-methoxy-3-oxidanylidene-propyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[3-(3-methoxy-3-oxidanylidene-propyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-[3-(3-methoxy-3-oxo-propyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[3-(3-methoxy-3-oxopropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(3-methoxy-3-oxopropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[4-keto-3-(3-keto-3-methoxy-propyl)quinazolin-2-yl]thio]acetyl]amino]butyric acid methyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

InChI

InChI=1S/C19H23N3O6S/c1-27-16(24)8-5-10-20-15(23)12-29-19-21-14-7-4-3-6-13(14)18(26)22(19)11-9-17(25)28-2/h3-4,6-7H,5,8-12H2,1-2H3,(H,20,23)