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

Systemtic Name: 3-[[2-(furan-2-ylcarbonylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-methyl-benzoic acid Openeye Name: 3-[[2-benzyl-3-(furan-2-carbonylsulfanyl)propanoyl]amino]-2-methyl-benzoic acid CAS Name: 3-[[2-[[[2-furanyl(oxo)methyl]thio]methyl]-1-oxo-3-phenylpropyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[[2-benzyl-3-(furan-2-carbonylsulfanyl)propanoyl]amino]-2-methylbenzoic acid Traditional Name: 3-[[2-benzyl-3-(2-furoylthio)propanoyl]amino]-2-methyl-benzoic acid Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CC=CO3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CC=CO3)C(=O)O

InChI

InChI=1S/C23H21NO5S/c1-15-18(22(26)27)9-5-10-19(15)24-21(25)17(13-16-7-3-2-4-8-16)14-30-23(28)20-11-6-12-29-20/h2-12,17H,13-14H2,1H3,(H,24,25)(H,26,27)