[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

InChI

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