2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(methylamino)-3-oxidanylidene-propanoate; tris(2-hydroxyethyl)azanium

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(methylamino)-3-oxidanylidene-propanoate; tris(2-hydroxyethyl)azanium Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(methylamino)-3-oxo-propanoate; tris(2-hydroxyethyl)ammonium CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-(methylamino)-3-oxopropanoate; tris(2-hydroxyethyl)ammonium IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(methylamino)-3-oxopropanoate; tris(2-hydroxyethyl)azanium Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-keto-3-(methylamino)propionate; tris(2-hydroxyethyl)ammonium Formula: C18H27N3O6S2 MolecularWeight: 445.55348

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CSC1=NC2=CC=CC=C2S1)C(=O)[O-].C(CO)[NH+](CCO)CCO

Isomeric SMILES

CNC(=O)C(CSC1=NC2=CC=CC=C2S1)C(=O)[O-].C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C12H12N2O3S2.C6H15NO3/c1-13-10(15)7(11(16)17)6-18-12-14-8-4-2-3-5-9(8)19-12;8-4-1-7(2-5-9)3-6-10/h2-5,7H,6H2,1H3,(H,13,15)(H,16,17);8-10H,1-6H2