5-[[2-(diphenylmethyl)sulfanylethanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-(diphenylmethyl)sulfanylethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[(2-benzhydrylsulfanylacetyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-[(diphenylmethyl)thio]-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[(2-benzhydrylsulfanylacetyl)amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-(benzhydrylthio)acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C24H23NO4S MolecularWeight: 421.50872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H23NO4S/c1-29-21-13-12-17(14-20(21)24(27)28)15-25-22(26)16-30-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14,23H,15-16H2,1H3,(H,25,26)(H,27,28)