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

Systemtic Name: methyl 3-[[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H19ClN2O4S/c1-26-9-8-23-18(24)16-7-6-15(21)11-17(16)22-20(23)28-12-13-4-3-5-14(10-13)19(25)27-2/h3-7,10-11H,8-9,12H2,1-2H3