methyl 2-[6-ethoxy-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-ethoxy-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-benzylsulfonylpropanoylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[1-oxo-3-(phenylmethyl)sulfonylpropyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-benzylsulfonylpropanoylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-benzylsulfonylpropanoylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OC

InChI

InChI=1S/C22H24N2O6S2/c1-3-30-17-9-10-18-19(13-17)31-22(24(18)14-21(26)29-2)23-20(25)11-12-32(27,28)15-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14-15H2,1-2H3