ethyl 3-methyl-2-[2-(4-methylsulfanylphenyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-methyl-2-[2-(4-methylsulfanylphenyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-methyl-2-[2-(4-methylsulfanylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[2-[4-(methylthio)phenyl]-1-oxoethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[2-(4-methylsulfanylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-[2-[4-(methylthio)phenyl]acetyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)SC)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)SC)S2)C

InChI

InChI=1S/C20H20N2O3S2/c1-4-25-19(24)14-7-10-16-17(12-14)27-20(22(16)2)21-18(23)11-13-5-8-15(26-3)9-6-13/h5-10,12H,4,11H2,1-3H3