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

Systemtic Name: 3-[[2-(ethanoylsulfanylmethyl)-3-(4-methoxyphenyl)propanoyl]amino]benzoic acid Openeye Name: 3-[[2-(acetylsulfanylmethyl)-3-(4-methoxyphenyl)propanoyl]amino]benzoic acid CAS Name: 3-[[2-[(acetylthio)methyl]-3-(4-methoxyphenyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[[2-(acetylsulfanylmethyl)-3-(4-methoxyphenyl)propanoyl]amino]benzoic acid Traditional Name: 3-[[2-[(acetylthio)methyl]-3-(4-methoxyphenyl)propanoyl]amino]benzoic acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-13(22)27-12-16(10-14-6-8-18(26-2)9-7-14)19(23)21-17-5-3-4-15(11-17)20(24)25/h3-9,11,16H,10,12H2,1-2H3,(H,21,23)(H,24,25)