(2-azanyl-2-oxidanylidene-ethyl) 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: (2-amino-2-oxo-ethyl) 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid (2-amino-2-keto-ethyl) ester Formula: C12H12N2O3S2 MolecularWeight: 296.36528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)OCC(=O)N

InChI

InChI=1S/C12H12N2O3S2/c13-10(15)7-17-11(16)5-6-18-12-14-8-3-1-2-4-9(8)19-12/h1-4H,5-7H2,(H2,13,15)