2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(ethoxyamino)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(ethoxyamino)-3-oxidanylidene-propanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(ethoxyamino)-3-oxo-propanoic acid CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-(ethoxyamino)-3-oxopropanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(ethoxyamino)-3-oxopropanoic acid Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-(ethoxyamino)-3-keto-propionic acid Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

CCONC(=O)C(CSC1=NC2=CC=CC=C2S1)C(=O)O

Isomeric SMILES

CCONC(=O)C(CSC1=NC2=CC=CC=C2S1)C(=O)O

InChI

InChI=1S/C13H14N2O4S2/c1-2-19-15-11(16)8(12(17)18)7-20-13-14-9-5-3-4-6-10(9)21-13/h3-6,8H,2,7H2,1H3,(H,15,16)(H,17,18)