methyl 2-[4,7-dimethoxy-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4,7-dimethoxy-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-benzylsulfonylpropanoylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,7-dimethoxy-2-[1-oxo-3-(phenylmethyl)sulfonylpropyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-benzylsulfonylpropanoylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-benzylsulfonylpropanoylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O7S2 MolecularWeight: 492.56516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)N2CC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)N2CC(=O)OC

InChI

InChI=1S/C22H24N2O7S2/c1-29-16-9-10-17(30-2)21-20(16)24(13-19(26)31-3)22(32-21)23-18(25)11-12-33(27,28)14-15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3