2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl (2R)-2-phenylsulfanylpropanoate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl (2R)-2-phenylsulfanylpropanoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C18H17NO5S2 MolecularWeight: 391.46128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCN1C(=O)C2=CC=CC=C2S1(=O)=O)SC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCCN1C(=O)C2=CC=CC=C2S1(=O)=O)SC3=CC=CC=C3

InChI

InChI=1S/C18H17NO5S2/c1-13(25-14-7-3-2-4-8-14)18(21)24-12-11-19-17(20)15-9-5-6-10-16(15)26(19,22)23/h2-10,13H,11-12H2,1H3/t13-/m1/s1