(4-methylsulfanylphenyl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [4-(methylthio)benzyl] ester Formula: C16H13NO2S2 MolecularWeight: 315.40992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO2S2/c1-20-13-5-2-11(3-6-13)9-19-16(18)12-4-7-14-15(8-12)21-10-17-14/h2-8,10H,9H2,1H3