[2-oxidanylidene-2-(4-propan-2-yloxyphenyl)ethyl] 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-yloxyphenyl)ethyl] 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoate Openeye Name: [2-(4-isopropoxyphenyl)-2-oxo-ethyl] 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetic acid [2-oxo-2-(4-propan-2-yloxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-yloxyphenyl)ethyl] 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetic acid [2-(4-isopropoxyphenyl)-2-keto-ethyl] ester Formula: C20H18ClNO4S2 MolecularWeight: 435.94422

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=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C20H18ClNO4S2/c1-12(2)26-15-6-3-13(4-7-15)17(23)10-25-19(24)11-27-20-22-16-9-14(21)5-8-18(16)28-20/h3-9,12H,10-11H2,1-2H3