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

Systemtic Name: methyl 4-[2-[3-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-[3-(2-methoxy-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[3-(2-methoxy-2-oxoethyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(2-methoxy-2-oxoethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[4-keto-3-(2-keto-2-methoxy-ethyl)quinazolin-2-yl]thio]acetyl]amino]butyric acid methyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC

InChI

InChI=1S/C18H21N3O6S/c1-26-15(23)8-5-9-19-14(22)11-28-18-20-13-7-4-3-6-12(13)17(25)21(18)10-16(24)27-2/h3-4,6-7H,5,8-11H2,1-2H3,(H,19,22)