methyl 2-[2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(7-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]acetic acid methyl ester Formula: C19H22ClN3O4S MolecularWeight: 423.91368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3

InChI

InChI=1S/C19H22ClN3O4S/c1-27-17(25)10-21-16(24)11-28-19-22-15-9-12(20)7-8-14(15)18(26)23(19)13-5-3-2-4-6-13/h7-9,13H,2-6,10-11H2,1H3,(H,21,24)