2-methyl-3-[[2-(phenylmethyl)-3-(2-thiophen-2-ylethanoylsulfanyl)propanoyl]amino]benzoic acid

Systemtic Name: 2-methyl-3-[[2-(phenylmethyl)-3-(2-thiophen-2-ylethanoylsulfanyl)propanoyl]amino]benzoic acid Openeye Name: 3-[[2-benzyl-3-[2-(2-thienyl)acetyl]sulfanyl-propanoyl]amino]-2-methyl-benzoic acid CAS Name: 2-methyl-3-[[1-oxo-2-[[(1-oxo-2-thiophen-2-ylethyl)thio]methyl]-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[[2-benzyl-3-(2-thiophen-2-ylacetyl)sulfanylpropanoyl]amino]-2-methylbenzoic acid Traditional Name: 3-[[2-benzyl-3-[[2-(2-thienyl)acetyl]thio]propanoyl]amino]-2-methyl-benzoic acid Formula: C24H23NO4S2 MolecularWeight: 453.57372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)CC3=CC=CS3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)CC3=CC=CS3)C(=O)O

InChI

InChI=1S/C24H23NO4S2/c1-16-20(24(28)29)10-5-11-21(16)25-23(27)18(13-17-7-3-2-4-8-17)15-31-22(26)14-19-9-6-12-30-19/h2-12,18H,13-15H2,1H3,(H,25,27)(H,28,29)