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

Systemtic Name: ethyl 2-(1,3-benzothiazol-6-ylcarbonylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazole-6-carbonylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazole-6-carbonylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1,3-benzothiazole-6-carbonylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C22H21N3O4S2/c1-3-28-10-9-25-17-8-6-15(21(27)29-4-2)12-19(17)31-22(25)24-20(26)14-5-7-16-18(11-14)30-13-23-16/h5-8,11-13H,3-4,9-10H2,1-2H3