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

Systemtic Name: ethyl 4-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCCC(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCCC(=O)OCC

InChI

InChI=1S/C20H27N3O4S/c1-3-5-13-23-19(26)15-9-6-7-10-16(15)22-20(23)28-14-17(24)21-12-8-11-18(25)27-4-2/h6-7,9-10H,3-5,8,11-14H2,1-2H3,(H,21,24)