2-methyl-5-[2-(1-phenylethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 2-methyl-5-[2-(1-phenylethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 2-methyl-5-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 2-methyl-5-[[1-oxo-2-(1-phenylethylthio)ethyl]amino]benzoic acid IUPAC Name: 2-methyl-5-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 2-methyl-5-[[2-(1-phenylethylthio)acetyl]amino]benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC(C)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC(C)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H19NO3S/c1-12-8-9-15(10-16(12)18(21)22)19-17(20)11-23-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)(H,21,22)