2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-oxidanyl-benzoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-oxidanyl-benzoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-hydroxy-benzoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-4-hydroxybenzoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-4-hydroxybenzoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-4-hydroxy-benzoic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)O)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)O)C(=O)O

InChI

InChI=1S/C19H19NO5S/c1-12(21)26-11-14(9-13-5-3-2-4-6-13)18(23)20-17-10-15(22)7-8-16(17)19(24)25/h2-8,10,14,22H,9,11H2,1H3,(H,20,23)(H,24,25)