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

Systemtic Name: methyl 4-[2-(3-ethyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-(3-ethyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(3-ethyl-4-oxo-2-benzo[g]quinazolinyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(3-ethyl-4-keto-benzo[g]quinazolin-2-yl)thio]acetyl]amino]butyric acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)NCCCC(=O)OC

Isomeric SMILES

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)NCCCC(=O)OC

InChI

InChI=1S/C21H23N3O4S/c1-3-24-20(27)16-11-14-7-4-5-8-15(14)12-17(16)23-21(24)29-13-18(25)22-10-6-9-19(26)28-2/h4-5,7-8,11-12H,3,6,9-10,13H2,1-2H3,(H,22,25)