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

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-thiophen-2-ylcarbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[oxo(thiophen-2-yl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-(2-thenoylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H16N2O3S3 MolecularWeight: 392.51554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CS3)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CS3)S2)CCSC

InChI

InChI=1S/C17H16N2O3S3/c1-22-16(21)11-5-6-12-14(10-11)25-17(19(12)7-9-23-2)18-15(20)13-4-3-8-24-13/h3-6,8,10H,7,9H2,1-2H3