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

Systemtic Name: methyl 2-(1,3-benzothiazol-2-ylcarbonylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(1,3-benzothiazole-2-carbonylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1,3-benzothiazol-2-yl(oxo)methyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzothiazole-2-carbonylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1,3-benzothiazole-2-carbonylimino)-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H17N3O3S3 MolecularWeight: 443.56228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=NC4=CC=CC=C4S3)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=NC4=CC=CC=C4S3)S2)CCSC

InChI

InChI=1S/C20H17N3O3S3/c1-26-19(25)12-7-8-14-16(11-12)29-20(23(14)9-10-27-2)22-17(24)18-21-13-5-3-4-6-15(13)28-18/h3-8,11H,9-10H2,1-2H3