methyl 2-[(3-chlorophenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(3-chlorophenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-chlorophenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(3-chlorophenyl)methylthio]-3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chlorophenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(3-chlorobenzyl)thio]-4-keto-3-(2-morpholin-4-ium-4-ylethyl)quinazoline-7-carboxylic acid methyl ester Formula: C23H25ClN3O4S+ MolecularWeight: 474.9803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)Cl)CC[NH+]4CCOCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)Cl)CC[NH+]4CCOCC4

InChI

InChI=1S/C23H24ClN3O4S/c1-30-22(29)17-5-6-19-20(14-17)25-23(32-15-16-3-2-4-18(24)13-16)27(21(19)28)8-7-26-9-11-31-12-10-26/h2-6,13-14H,7-12,15H2,1H3/p+1