2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(methylamino)-3-oxidanylidene-propanoate; tributylazanium

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(methylamino)-3-oxidanylidene-propanoate; tributylazanium Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(methylamino)-3-oxo-propanoate; tributylammonium CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-(methylamino)-3-oxopropanoate; tributylammonium IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(methylamino)-3-oxopropanoate; tributylazanium Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-keto-3-(methylamino)propionate; tributylammonium Formula: C24H39N3O3S2 MolecularWeight: 481.71476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3S2.C12H27N/c1-13-10(15)7(11(16)17)6-18-12-14-8-4-2-3-5-9(8)19-12;1-4-7-10-13(11-8-5-2)12-9-6-3/h2-5,7H,6H2,1H3,(H,13,15)(H,16,17);4-12H2,1-3H3