(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C16H13NO3S2 MolecularWeight: 331.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C16H13NO3S2/c18-12(14-6-3-9-21-14)10-20-16(19)8-7-15-17-11-4-1-2-5-13(11)22-15/h1-6,9H,7-8,10H2