[(2S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-1-methyl-ethyl]ammonium Formula: C12H16N3O2S+ MolecularWeight: 266.33934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)[NH3+]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](C)[NH3+]

InChI

InChI=1S/C12H15N3O2S/c1-3-17-8-4-5-9-10(6-8)18-12(14-9)15-11(16)7(2)13/h4-7H,3,13H2,1-2H3,(H,14,15,16)/p+1/t7-/m0/s1