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

Systemtic Name: ethyl 2-(1,3-benzothiazol-6-ylcarbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazole-6-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazole-6-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1,3-benzothiazole-6-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)N=CS4)S2)CCOC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)N=CS4)S2)CCOC

InChI

InChI=1S/C21H19N3O4S2/c1-3-28-20(26)14-5-7-16-18(11-14)30-21(24(16)8-9-27-2)23-19(25)13-4-6-15-17(10-13)29-12-22-15/h4-7,10-12H,3,8-9H2,1-2H3