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

Systemtic Name: 4-[[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]methyl]benzoic acid Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H21NO4S/c1-14(22)26-13-18(11-15-5-3-2-4-6-15)19(23)21-12-16-7-9-17(10-8-16)20(24)25/h2-10,18H,11-13H2,1H3,(H,21,23)(H,24,25)