1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1S)-2-(2-acetylanilino)-1-methyl-2-oxo-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: [(1S)-2-(2-acetylanilino)-2-keto-1-methyl-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)C)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O2S/c1-13(20(25)22-16-9-5-4-8-15(16)14(2)24)23(3)12-19-21-17-10-6-7-11-18(17)26-19/h4-11,13H,12H2,1-3H3,(H,22,25)/p+1/t13-/m0/s1