[2-oxidanylidene-2-(4-propan-2-yloxyphenyl)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-yloxyphenyl)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(4-isopropoxyphenyl)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-oxo-2-(4-propan-2-yloxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-yloxyphenyl)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(4-isopropoxyphenyl)-2-keto-ethyl] ester Formula: C20H19NO4S2 MolecularWeight: 401.49916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H19NO4S2/c1-13(2)25-15-9-7-14(8-10-15)17(22)11-24-19(23)12-26-20-21-16-5-3-4-6-18(16)27-20/h3-10,13H,11-12H2,1-2H3