2-[[1-ethanoylsulfanyl-3-(2-methylphenyl)propan-2-yl]carbamoylsulfanyl]ethanoic acid

Systemtic Name: 2-[[1-ethanoylsulfanyl-3-(2-methylphenyl)propan-2-yl]carbamoylsulfanyl]ethanoic acid Openeye Name: 2-[[1-(acetylsulfanylmethyl)-2-(o-tolyl)ethyl]carbamoylsulfanyl]acetic acid CAS Name: 2-[[[[1-(acetylthio)-3-(2-methylphenyl)propan-2-yl]amino]-oxomethyl]thio]acetic acid IUPAC Name: 2-[[1-acetylsulfanyl-3-(2-methylphenyl)propan-2-yl]carbamoylsulfanyl]acetic acid Traditional Name: 2-[[1-[(acetylthio)methyl]-2-(o-tolyl)ethyl]carbamoylthio]acetic acid Formula: C15H19NO4S2 MolecularWeight: 341.44566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CSC(=O)C)NC(=O)SCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC(CSC(=O)C)NC(=O)SCC(=O)O

InChI

InChI=1S/C15H19NO4S2/c1-10-5-3-4-6-12(10)7-13(8-21-11(2)17)16-15(20)22-9-14(18)19/h3-6,13H,7-9H2,1-2H3,(H,16,20)(H,18,19)