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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)C)C(=O)O

InChI

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