methyl 3-[2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H22ClN3O4S/c1-13(2)11-26-20(28)17-10-15(23)7-8-18(17)25-22(26)31-12-19(27)24-16-6-4-5-14(9-16)21(29)30-3/h4-10,13H,11-12H2,1-3H3,(H,24,27)