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

Systemtic Name: methyl 2-[4,7-dimethoxy-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-benzylsulfonylbutanoylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,7-dimethoxy-2-[1-oxo-4-(phenylmethyl)sulfonylbutyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-benzylsulfonylbutanoylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-benzylsulfonylbutanoylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H26N2O7S2 MolecularWeight: 506.59174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O7S2/c1-30-17-11-12-18(31-2)22-21(17)25(14-20(27)32-3)23(33-22)24-19(26)10-7-13-34(28,29)15-16-8-5-4-6-9-16/h4-6,8-9,11-12H,7,10,13-15H2,1-3H3