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

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-6-ylcarbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)N=CS4)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)N=CS4)S2)CC(=O)OC

InChI

InChI=1S/C20H17N3O4S2/c1-3-27-13-5-7-15-17(9-13)29-20(23(15)10-18(24)26-2)22-19(25)12-4-6-14-16(8-12)28-11-21-14/h4-9,11H,3,10H2,1-2H3