2-(propanoylamino)-5-(2-propan-2-ylphenyl)sulfanyl-benzoic acid

Systemtic Name: 2-(propanoylamino)-5-(2-propan-2-ylphenyl)sulfanyl-benzoic acid Openeye Name: 5-(2-isopropylphenyl)sulfanyl-2-(propanoylamino)benzoic acid CAS Name: 2-(1-oxopropylamino)-5-[(2-propan-2-ylphenyl)thio]benzoic acid IUPAC Name: 2-(propanoylamino)-5-(2-propan-2-ylphenyl)sulfanylbenzoic acid Traditional Name: 5-(o-cumenylthio)-2-propionamido-benzoic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2C(C)C)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2C(C)C)C(=O)O

InChI

InChI=1S/C19H21NO3S/c1-4-18(21)20-16-10-9-13(11-15(16)19(22)23)24-17-8-6-5-7-14(17)12(2)3/h5-12H,4H2,1-3H3,(H,20,21)(H,22,23)