[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC=CC=C1CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC=CC=C1CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O3S2/c1-3-21-18(23)13(2)25-19(24)15-9-5-4-8-14(15)12-26-20-22-16-10-6-7-11-17(16)27-20/h4-11,13H,3,12H2,1-2H3,(H,21,23)/t13-/m0/s1