2-methyl-3-[[2-(naphthalen-1-ylcarbonylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoic acid

Systemtic Name: 2-methyl-3-[[2-(naphthalen-1-ylcarbonylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoic acid Openeye Name: 3-[[2-benzyl-3-(naphthalene-1-carbonylsulfanyl)propanoyl]amino]-2-methyl-benzoic acid CAS Name: 2-methyl-3-[[2-[[[1-naphthalenyl(oxo)methyl]thio]methyl]-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[[2-benzyl-3-(naphthalene-1-carbonylsulfanyl)propanoyl]amino]-2-methylbenzoic acid Traditional Name: 3-[[2-benzyl-3-(1-naphthoylthio)propanoyl]amino]-2-methyl-benzoic acid Formula: C29H25NO4S MolecularWeight: 483.5781

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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=CC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CC=CC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C29H25NO4S/c1-19-23(28(32)33)14-8-16-26(19)30-27(31)22(17-20-9-3-2-4-10-20)18-35-29(34)25-15-7-12-21-11-5-6-13-24(21)25/h2-16,22H,17-18H2,1H3,(H,30,31)(H,32,33)