2-methylpropyl 4-[[2-(2-oxidanylidenepropylsulfanyl)-1,3-benzothiazol-4-yl]oxy]benzoate

Systemtic Name: 2-methylpropyl 4-[[2-(2-oxidanylidenepropylsulfanyl)-1,3-benzothiazol-4-yl]oxy]benzoate Openeye Name: isobutyl 4-[(2-acetonylsulfanyl-1,3-benzothiazol-4-yl)oxy]benzoate CAS Name: 4-[[2-(2-oxopropylthio)-1,3-benzothiazol-4-yl]oxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[2-(2-oxopropylsulfanyl)-1,3-benzothiazol-4-yl]oxy]benzoate Traditional Name: 4-[[2-(acetonylthio)-1,3-benzothiazol-4-yl]oxy]benzoic acid isobutyl ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)OC2=C3C(=CC=C2)SC(=N3)SCC(=O)C

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)OC2=C3C(=CC=C2)SC(=N3)SCC(=O)C

InChI

InChI=1S/C21H21NO4S2/c1-13(2)11-25-20(24)15-7-9-16(10-8-15)26-17-5-4-6-18-19(17)22-21(28-18)27-12-14(3)23/h4-10,13H,11-12H2,1-3H3