5-methyl-2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid

Systemtic Name: 5-methyl-2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid Openeye Name: 5-methyl-2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid CAS Name: 2-[[2-(mercaptomethyl)-4-methyl-1-oxopentyl]amino]-5-methylbenzoic acid IUPAC Name: 5-methyl-2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid Traditional Name: 2-[[2-(mercaptomethyl)-4-methyl-pentanoyl]amino]-5-methyl-benzoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(CC(C)C)CS)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(CC(C)C)CS)C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-9(2)6-11(8-20)14(17)16-13-5-4-10(3)7-12(13)15(18)19/h4-5,7,9,11,20H,6,8H2,1-3H3,(H,16,17)(H,18,19)