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

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-thiophen-2-ylcarbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S3/c1-3-23-17(22)12-6-7-13-15(11-12)26-18(20(13)8-10-24-2)19-16(21)14-5-4-9-25-14/h4-7,9,11H,3,8,10H2,1-2H3