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

Systemtic Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)ethanoate Openeye Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxo-ethyl] 2-(2-thienylsulfonylamino)acetate CAS Name: 2-(thiophen-2-ylsulfonylamino)acetic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-thienylsulfonylamino)acetic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C17H17N3O5S3 MolecularWeight: 439.52898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)CNS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)CNS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H17N3O5S3/c1-2-20(17-19-12-6-3-4-7-13(12)27-17)14(21)11-25-15(22)10-18-28(23,24)16-8-5-9-26-16/h3-9,18H,2,10-11H2,1H3