(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) 3-methylbenzoate

Systemtic Name: (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) 3-methylbenzoate Openeye Name: (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-(methylthio)-5,6,7,8-tetrahydroquinazolin-4-yl] ester IUPAC Name: (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-(methylthio)-5,6,7,8-tetrahydroquinazolin-4-yl] ester Formula: C17H18N2O2S MolecularWeight: 314.40202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=NC(=NC3=C2CCCC3)SC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=NC(=NC3=C2CCCC3)SC

InChI

InChI=1S/C17H18N2O2S/c1-11-6-5-7-12(10-11)16(20)21-15-13-8-3-4-9-14(13)18-17(19-15)22-2/h5-7,10H,3-4,8-9H2,1-2H3