ethyl 2-[6-ethyl-2-[2-(phenylmethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-ethyl-2-[2-(phenylmethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2-benzylsulfonylacetyl)imino-6-ethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethyl-2-[1-oxo-2-(phenylmethyl)sulfonylethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-benzylsulfonylacetyl)imino-6-ethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-benzylsulfonylacetyl)imino-6-ethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OCC

InChI

InChI=1S/C22H24N2O5S2/c1-3-16-10-11-18-19(12-16)30-22(24(18)13-21(26)29-4-2)23-20(25)15-31(27,28)14-17-8-6-5-7-9-17/h5-12H,3-4,13-15H2,1-2H3