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

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-6-ylcarbonylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazole-6-carbonylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC4=C(C=C3)N=CS4)S2)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC4=C(C=C3)N=CS4)S2)CC(=O)OC)OC

InChI

InChI=1S/C20H17N3O5S2/c1-26-14-7-13-17(8-15(14)27-2)30-20(23(13)9-18(24)28-3)22-19(25)11-4-5-12-16(6-11)29-10-21-12/h4-8,10H,9H2,1-3H3