methyl 4-[[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[(7-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[7-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(7-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21ClN2O3S/c1-13(2)11-24-19(25)17-9-8-16(22)10-18(17)23-21(24)28-12-14-4-6-15(7-5-14)20(26)27-3/h4-10,13H,11-12H2,1-3H3