(3S)-3-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-chlorophenyl)carbonyl-azepan-2-one

Systemtic Name: (3S)-3-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-chlorophenyl)carbonyl-azepan-2-one Openeye Name: (3S)-3-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-chlorobenzoyl)azepan-2-one CAS Name: (3S)-3-(1,3-benzoxazol-2-ylthio)-1-[(4-chlorophenyl)-oxomethyl]-2-azepanone IUPAC Name: (3S)-3-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-chlorobenzoyl)azepan-2-one Traditional Name: (3S)-3-(1,3-benzoxazol-2-ylthio)-1-(4-chlorobenzoyl)azepan-2-one Formula: C20H17ClN2O3S MolecularWeight: 400.87858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NC3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)SC2=NC3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN2O3S/c21-14-10-8-13(9-11-14)18(24)23-12-4-3-7-17(19(23)25)27-20-22-15-5-1-2-6-16(15)26-20/h1-2,5-6,8-11,17H,3-4,7,12H2/t17-/m0/s1