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

Systemtic Name: ethyl 2-(1,3-benzothiazol-6-ylcarbonylimino)-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazole-6-carbonylimino)-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazole-6-carbonylimino)-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1,3-benzothiazole-6-carbonylimino)-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H19N3O5S2 MolecularWeight: 469.53336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C22H19N3O5S2/c1-3-29-19(26)11-25-16-8-6-14(21(28)30-4-2)10-18(16)32-22(25)24-20(27)13-5-7-15-17(9-13)31-12-23-15/h5-10,12H,3-4,11H2,1-2H3