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

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C17H13NO3S2 MolecularWeight: 343.42002

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C17H13NO3S2/c1-22-13-5-2-11(3-6-13)15(19)9-21-17(20)12-4-7-14-16(8-12)23-10-18-14/h2-8,10H,9H2,1H3