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

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3-thiophen-3-ylpropanoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)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 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-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=CSC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)CCC3=CSC=C3

InChI

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