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

Systemtic Name: ethyl 4-[2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H25N3O5S/c1-3-31-21(28)12-7-13-24-20(27)15-32-23-25-19-11-5-4-10-18(19)22(29)26(23)16-8-6-9-17(14-16)30-2/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,24,27)