3-[2-(5-tert-butyl-2-methyl-phenyl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-(5-tert-butyl-2-methyl-phenyl)sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-(5-tert-butyl-2-methyl-phenyl)sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[(5-tert-butyl-2-methylphenyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(5-tert-butyl-2-methyl-phenyl)thio]acetyl]amino]benzoic acid Formula: C20H23NO3S MolecularWeight: 357.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C20H23NO3S/c1-13-8-9-15(20(2,3)4)11-17(13)25-12-18(22)21-16-7-5-6-14(10-16)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)