methyl 3-[2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H20ClN3O4S/c1-3-9-25-19(27)16-8-7-14(22)11-17(16)24-21(25)30-12-18(26)23-15-6-4-5-13(10-15)20(28)29-2/h4-8,10-11H,3,9,12H2,1-2H3,(H,23,26)