ethyl 4-[2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C20H26ClN3O4S MolecularWeight: 439.95614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC(C)C

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC(C)C

InChI

InChI=1S/C20H26ClN3O4S/c1-4-28-18(26)6-5-9-22-17(25)12-29-20-23-16-8-7-14(21)10-15(16)19(27)24(20)11-13(2)3/h7-8,10,13H,4-6,9,11-12H2,1-3H3,(H,22,25)