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

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylcarbonylimino)-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazole-2-carbonylimino)-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1,3-benzothiazol-2-yl(oxo)methyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazole-2-carbonylimino)-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1,3-benzothiazole-2-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=NC4=CC=CC=C4S3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=NC4=CC=CC=C4S3

InChI

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