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

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

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=NC4=CC=CC=C4S3

InChI

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