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

Systemtic Name: 3-[[2-(ethanoylsulfanylmethyl)-4-methyl-pentanoyl]amino]benzoic acid Openeye Name: 3-[[2-(acetylsulfanylmethyl)-4-methyl-pentanoyl]amino]benzoic acid CAS Name: 3-[[2-[(acetylthio)methyl]-4-methyl-1-oxopentyl]amino]benzoic acid IUPAC Name: 3-[[2-(acetylsulfanylmethyl)-4-methylpentanoyl]amino]benzoic acid Traditional Name: 3-[[2-[(acetylthio)methyl]-4-methyl-pentanoyl]amino]benzoic acid Formula: C16H21NO4S MolecularWeight: 323.40724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSC(=O)C)C(=O)NC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CC(C)CC(CSC(=O)C)C(=O)NC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C16H21NO4S/c1-10(2)7-13(9-22-11(3)18)15(19)17-14-6-4-5-12(8-14)16(20)21/h4-6,8,10,13H,7,9H2,1-3H3,(H,17,19)(H,20,21)