[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H24N2O4S MolecularWeight: 376.46986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H24N2O4S/c1-13(18(23)20-14-8-4-2-3-5-9-14)24-17(22)12-26-19-21-15-10-6-7-11-16(15)25-19/h6-7,10-11,13-14H,2-5,8-9,12H2,1H3,(H,20,23)