2-methylpropyl 4-[(5-chloranyl-2-oxidanylidene-4-propylsulfanyl-3H-1,3-benzothiazol-6-yl)oxy]benzoate

Systemtic Name: 2-methylpropyl 4-[(5-chloranyl-2-oxidanylidene-4-propylsulfanyl-3H-1,3-benzothiazol-6-yl)oxy]benzoate Openeye Name: isobutyl 4-[(5-chloro-2-oxo-4-propylsulfanyl-3H-1,3-benzothiazol-6-yl)oxy]benzoate CAS Name: 4-[[5-chloro-2-oxo-4-(propylthio)-3H-1,3-benzothiazol-6-yl]oxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(5-chloro-2-oxo-4-propylsulfanyl-3H-1,3-benzothiazol-6-yl)oxy]benzoate Traditional Name: 4-[[5-chloro-2-keto-4-(propylthio)-3H-1,3-benzothiazol-6-yl]oxy]benzoic acid isobutyl ester Formula: C21H22ClNO4S2 MolecularWeight: 451.98668

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=CC2=C1NC(=O)S2)OC3=CC=C(C=C3)C(=O)OCC(C)C)Cl

Isomeric SMILES

CCCSC1=C(C(=CC2=C1NC(=O)S2)OC3=CC=C(C=C3)C(=O)OCC(C)C)Cl

InChI

InChI=1S/C21H22ClNO4S2/c1-4-9-28-19-17(22)15(10-16-18(19)23-21(25)29-16)27-14-7-5-13(6-8-14)20(24)26-11-12(2)3/h5-8,10,12H,4,9,11H2,1-3H3,(H,23,25)