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

Systemtic Name: methyl 2-(1,3-benzothiazol-6-ylcarbonylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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