methyl 3-(quinazolin-4-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 3-(quinazolin-4-ylsulfanylmethyl)benzoate Openeye Name: methyl 3-(quinazolin-4-ylsulfanylmethyl)benzoate CAS Name: 3-[(4-quinazolinylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(quinazolin-4-ylsulfanylmethyl)benzoate Traditional Name: 3-[(quinazolin-4-ylthio)methyl]benzoic acid methyl ester Formula: C17H14N2O2S MolecularWeight: 310.37026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C17H14N2O2S/c1-21-17(20)13-6-4-5-12(9-13)10-22-16-14-7-2-3-8-15(14)18-11-19-16/h2-9,11H,10H2,1H3