2-methylpropyl 4-[1-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-oxidanyl-propan-2-yl]oxybenzoate

Systemtic Name: 2-methylpropyl 4-[1-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-oxidanyl-propan-2-yl]oxybenzoate Openeye Name: isobutyl 4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-hydroxy-1-methyl-ethoxy]benzoate CAS Name: 4-[1-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-2-hydroxypropan-2-yl]oxybenzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[1-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-hydroxypropan-2-yl]oxybenzoate Traditional Name: 4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-hydroxy-1-methyl-ethoxy]benzoic acid isobutyl ester Formula: C23H27NO5S2 MolecularWeight: 461.59418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(C)(O)OC3=CC=C(C=C3)C(=O)OCC(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(C)(O)OC3=CC=C(C=C3)C(=O)OCC(C)C

InChI

InChI=1S/C23H27NO5S2/c1-5-27-18-10-11-19-20(12-18)31-22(24-19)30-14-23(4,26)29-17-8-6-16(7-9-17)21(25)28-13-15(2)3/h6-12,15,26H,5,13-14H2,1-4H3