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

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-4-methyl-pentanoyl]amino]-5-methyl-benzoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-4-methyl-pentanoyl]amino]-5-methyl-benzoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-4-methyl-1-oxopentyl]amino]-5-methylbenzoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-4-methylpentanoyl]amino]-5-methylbenzoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-4-methyl-pentanoyl]amino]-5-methyl-benzoic acid Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4S/c1-10(2)7-13(9-23-12(4)19)16(20)18-15-6-5-11(3)8-14(15)17(21)22/h5-6,8,10,13H,7,9H2,1-4H3,(H,18,20)(H,21,22)