2-methylpropyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]benzoate Openeye Name: isobutyl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]benzoic acid isobutyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O3S2/c1-13(2)11-25-19(24)14-7-9-15(10-8-14)21-18(23)12-26-20-22-16-5-3-4-6-17(16)27-20/h3-10,13H,11-12H2,1-2H3,(H,21,23)