3-acetamido-4-(2,4-dimethylphenyl)sulfanyl-benzoate

Systemtic Name: 3-acetamido-4-(2,4-dimethylphenyl)sulfanyl-benzoate Openeye Name: 3-acetamido-4-(2,4-dimethylphenyl)sulfanyl-benzoate CAS Name: 3-acetamido-4-[(2,4-dimethylphenyl)thio]benzoate IUPAC Name: 3-acetamido-4-(2,4-dimethylphenyl)sulfanylbenzoate Traditional Name: 3-acetamido-4-[(2,4-dimethylphenyl)thio]benzoate Formula: C17H16NO3S- MolecularWeight: 314.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)C(=O)[O-])NC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)C(=O)[O-])NC(=O)C)C

InChI

InChI=1S/C17H17NO3S/c1-10-4-6-15(11(2)8-10)22-16-7-5-13(17(20)21)9-14(16)18-12(3)19/h4-9H,1-3H3,(H,18,19)(H,20,21)/p-1