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

Systemtic Name: methyl 4-[2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]butyric acid methyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H20N4O4S/c1-30-20(28)7-4-12-24-19(27)14-31-22-25-18-6-3-2-5-17(18)21(29)26(22)16-10-8-15(13-23)9-11-16/h2-3,5-6,8-11H,4,7,12,14H2,1H3,(H,24,27)