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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)CCC3=CSC=C3

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)CCC3=CSC=C3

InChI

InChI=1S/C18H18N2O3S2/c1-2-20(18-19-14-5-3-4-6-15(14)25-18)16(21)11-23-17(22)8-7-13-9-10-24-12-13/h3-6,9-10,12H,2,7-8,11H2,1H3