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

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NCCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C18H18N2O3S2/c21-16(19-10-9-13-4-3-11-24-13)12-23-18(22)8-7-17-20-14-5-1-2-6-15(14)25-17/h1-6,11H,7-10,12H2,(H,19,21)