3-[[2-(ethanoylsulfanylmethyl)-3-pyridin-3-yl-propanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-(ethanoylsulfanylmethyl)-3-pyridin-3-yl-propanoyl]amino]benzoic acid Openeye Name: 3-[[2-(acetylsulfanylmethyl)-3-(3-pyridyl)propanoyl]amino]benzoic acid CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-(3-pyridinyl)propyl]amino]benzoic acid IUPAC Name: 3-[[2-(acetylsulfanylmethyl)-3-pyridin-3-ylpropanoyl]amino]benzoic acid Traditional Name: 3-[[2-[(acetylthio)methyl]-3-(3-pyridyl)propanoyl]amino]benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-12(21)25-11-15(8-13-4-3-7-19-10-13)17(22)20-16-6-2-5-14(9-16)18(23)24/h2-7,9-10,15H,8,11H2,1H3,(H,20,22)(H,23,24)