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

Systemtic Name: 3-methyl-5-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid Openeye Name: 3-methyl-5-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid CAS Name: 3-[[2-(mercaptomethyl)-4-methyl-1-oxopentyl]amino]-5-methylbenzoic acid IUPAC Name: 3-methyl-5-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid Traditional Name: 3-[[2-(mercaptomethyl)-4-methyl-pentanoyl]amino]-5-methyl-benzoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-9(2)4-12(8-20)14(17)16-13-6-10(3)5-11(7-13)15(18)19/h5-7,9,12,20H,4,8H2,1-3H3,(H,16,17)(H,18,19)