4-phenylsulfanyl-3-(propanoylamino)benzoic acid

Systemtic Name: 4-phenylsulfanyl-3-(propanoylamino)benzoic acid Openeye Name: 4-phenylsulfanyl-3-(propanoylamino)benzoic acid CAS Name: 3-(1-oxopropylamino)-4-(phenylthio)benzoic acid IUPAC Name: 4-phenylsulfanyl-3-(propanoylamino)benzoic acid Traditional Name: 4-(phenylthio)-3-propionamido-benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C16H15NO3S/c1-2-15(18)17-13-10-11(16(19)20)8-9-14(13)21-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,17,18)(H,19,20)