4,5-dimethoxy-2-[2-(1-phenylethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[2-(1-phenylethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 4,5-dimethoxy-2-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[1-oxo-2-(1-phenylethylthio)ethyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 4,5-dimethoxy-2-[[2-(1-phenylethylthio)acetyl]amino]benzoic acid Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SCC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC

Isomeric SMILES

CC(C1=CC=CC=C1)SCC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC

InChI

InChI=1S/C19H21NO5S/c1-12(13-7-5-4-6-8-13)26-11-18(21)20-15-10-17(25-3)16(24-2)9-14(15)19(22)23/h4-10,12H,11H2,1-3H3,(H,20,21)(H,22,23)