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

Systemtic Name: 2-methylpropyl 4-[3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-oxidanyl-propoxy]benzoate Openeye Name: isobutyl 4-[3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-hydroxypropoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-hydroxy-propoxy]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)OCC(CSC2=NC3=C(S2)C=CC(=C3)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO4S2/c1-13(2)10-27-20(25)14-3-6-17(7-4-14)26-11-16(24)12-28-21-23-18-9-15(22)5-8-19(18)29-21/h3-9,13,16,24H,10-12H2,1-2H3