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

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-6-ylcarbonylimino)-6-methoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-methoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-methoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H15N3O4S2 MolecularWeight: 413.4701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)N=CS4)S2)CC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)N=CS4)S2)CC(=O)OC

InChI

InChI=1S/C19H15N3O4S2/c1-25-12-4-6-14-16(8-12)28-19(22(14)9-17(23)26-2)21-18(24)11-3-5-13-15(7-11)27-10-20-13/h3-8,10H,9H2,1-2H3