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

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3-phenylpropanoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic 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 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C18H17NO5S/c20-17(11-10-14-6-2-1-3-7-14)24-13-12-19-18(21)15-8-4-5-9-16(15)25(19,22)23/h1-9H,10-13H2