3-oxidanylidenebutan-2-yl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: (1-methyl-2-oxo-propyl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid (2-keto-1-methyl-propyl) ester Formula: C19H17NO3S2 MolecularWeight: 371.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17NO3S2/c1-12(21)13(2)23-18(22)15-9-7-14(8-10-15)11-24-19-20-16-5-3-4-6-17(16)25-19/h3-10,13H,11H2,1-2H3