ethyl 3-ethyl-2-(3-methylsulfanylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-ethyl-2-(3-methylsulfanylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-(3-methylsulfanylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[[3-(methylthio)phenyl]-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-(3-methylsulfanylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[3-(methylthio)benzoyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC(=CC=C3)SC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC(=CC=C3)SC

InChI

InChI=1S/C20H20N2O3S2/c1-4-22-16-10-9-14(19(24)25-5-2)12-17(16)27-20(22)21-18(23)13-7-6-8-15(11-13)26-3/h6-12H,4-5H2,1-3H3