3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-5-methyl-benzoic acid

Systemtic Name: 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-5-methyl-benzoic acid Openeye Name: 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-5-methyl-benzoic acid CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-5-methylbenzoic acid IUPAC Name: 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-5-methylbenzoic acid Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-5-methyl-benzoic acid Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)CSC(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)CSC(=O)C

InChI

InChI=1S/C20H21NO4S/c1-13-8-16(20(24)25)11-18(9-13)21-19(23)17(12-26-14(2)22)10-15-6-4-3-5-7-15/h3-9,11,17H,10,12H2,1-2H3,(H,21,23)(H,24,25)