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

Systemtic Name: methyl 4-[(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19ClN2O3S/c1-12(2)23-18(24)16-9-8-15(21)10-17(16)22-20(23)27-11-13-4-6-14(7-5-13)19(25)26-3/h4-10,12H,11H2,1-3H3