3-acetamido-4-(2,4-dimethylphenyl)sulfanyl-benzoic acid

Systemtic Name: 3-acetamido-4-(2,4-dimethylphenyl)sulfanyl-benzoic acid Openeye Name: 3-acetamido-4-(2,4-dimethylphenyl)sulfanyl-benzoic acid CAS Name: 3-acetamido-4-[(2,4-dimethylphenyl)thio]benzoic acid IUPAC Name: 3-acetamido-4-(2,4-dimethylphenyl)sulfanylbenzoic acid Traditional Name: 3-acetamido-4-[(2,4-dimethylphenyl)thio]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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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)