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

Systemtic Name: methyl 2-[6-butyl-2-[2-(phenylmethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-benzylsulfonylacetyl)imino-6-butyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[1-oxo-2-(phenylmethyl)sulfonylethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-benzylsulfonylacetyl)imino-6-butyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-benzylsulfonylacetyl)imino-6-butyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OC

InChI

InChI=1S/C23H26N2O5S2/c1-3-4-8-17-11-12-19-20(13-17)31-23(25(19)14-22(27)30-2)24-21(26)16-32(28,29)15-18-9-6-5-7-10-18/h5-7,9-13H,3-4,8,14-16H2,1-2H3