2-methylpropyl 4-[1-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-oxidanyl-propan-2-yl]oxybenzoate

Systemtic Name: 2-methylpropyl 4-[1-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-oxidanyl-propan-2-yl]oxybenzoate Openeye Name: isobutyl 4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-hydroxy-1-methyl-ethoxy]benzoate CAS Name: 4-[1-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-hydroxypropan-2-yl]oxybenzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[1-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-hydroxypropan-2-yl]oxybenzoate Traditional Name: 4-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-hydroxy-1-methyl-ethoxy]benzoic acid isobutyl ester Formula: C21H22ClNO4S2 MolecularWeight: 451.98668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO4S2/c1-13(2)11-26-19(24)14-4-7-16(8-5-14)27-21(3,25)12-28-20-23-17-10-15(22)6-9-18(17)29-20/h4-10,13,25H,11-12H2,1-3H3