ethyl 2-(1,3-benzothiazol-6-ylcarbonylimino)-3-ethyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(1,3-benzothiazol-6-ylcarbonylimino)-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazole-6-carbonylimino)-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazole-6-carbonylimino)-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1,3-benzothiazole-6-carbonylimino)-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H17N3O3S2/c1-3-23-15-8-6-13(19(25)26-4-2)10-17(15)28-20(23)22-18(24)12-5-7-14-16(9-12)27-11-21-14/h5-11H,3-4H2,1-2H3