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

Systemtic Name: methyl 3-[[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H21ClN2O4S/c1-27-10-4-9-24-19(25)17-8-7-16(22)12-18(17)23-21(24)29-13-14-5-3-6-15(11-14)20(26)28-2/h3,5-8,11-12H,4,9-10,13H2,1-2H3