2-methyl-3-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid

Systemtic Name: 2-methyl-3-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid Openeye Name: 2-methyl-3-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid CAS Name: 3-[[2-(mercaptomethyl)-4-methyl-1-oxopentyl]amino]-2-methylbenzoic acid IUPAC Name: 2-methyl-3-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid Traditional Name: 3-[[2-(mercaptomethyl)-4-methyl-pentanoyl]amino]-2-methyl-benzoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(CC(C)C)CS)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C(CC(C)C)CS)C(=O)O

InChI

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