1,3-benzothiazol-2-ylmethyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3S2

InChI

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