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

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3-thiophen-2-ylpropanoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3-(2-thienyl)propanoate CAS Name: 3-thiophen-2-ylpropanoic 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-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)propionic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C16H15NO5S2 MolecularWeight: 365.424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)CCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)CCC3=CC=CS3

InChI

InChI=1S/C16H15NO5S2/c18-15(8-7-12-4-3-11-23-12)22-10-9-17-16(19)13-5-1-2-6-14(13)24(17,20)21/h1-6,11H,7-10H2