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

Systemtic Name: 2-methyl-3-[[2-(2-methylpropoxycarbonylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoic acid Openeye Name: 3-[(2-benzyl-3-isobutoxycarbonylsulfanyl-propanoyl)amino]-2-methyl-benzoic acid CAS Name: 2-methyl-3-[[2-[[[2-methylpropoxy(oxo)methyl]thio]methyl]-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[[2-benzyl-3-(2-methylpropoxycarbonylsulfanyl)propanoyl]amino]-2-methylbenzoic acid Traditional Name: 3-[[2-benzyl-3-(isobutoxycarbonylthio)propanoyl]amino]-2-methyl-benzoic acid Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO5S/c1-15(2)13-29-23(28)30-14-18(12-17-8-5-4-6-9-17)21(25)24-20-11-7-10-19(16(20)3)22(26)27/h4-11,15,18H,12-14H2,1-3H3,(H,24,25)(H,26,27)