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

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl (3R)-3-phenylbutanoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic 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 (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5S/c1-14(15-7-3-2-4-8-15)13-18(21)25-12-11-20-19(22)16-9-5-6-10-17(16)26(20,23)24/h2-10,14H,11-13H2,1H3/t14-/m1/s1