methyl 2-[5,6-dimethoxy-2-[3-(phenylsulfonyl)propanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,6-dimethoxy-2-[3-(phenylsulfonyl)propanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[3-(benzenesulfonyl)propanoylimino]-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-(benzenesulfonyl)-1-oxopropyl]imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-(benzenesulfonyl)propanoylimino]-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-besylpropanoylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O7S2 MolecularWeight: 478.53858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)S2)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)S2)CC(=O)OC)OC

InChI

InChI=1S/C21H22N2O7S2/c1-28-16-11-15-18(12-17(16)29-2)31-21(23(15)13-20(25)30-3)22-19(24)9-10-32(26,27)14-7-5-4-6-8-14/h4-8,11-12H,9-10,13H2,1-3H3