(2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanyl-propanoic acid

Systemtic Name: (2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanyl-propanoic acid Openeye Name: (2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanyl-propanoic acid CAS Name: (2R)-2-acetamido-3-(1-cyclohexa-2,4-dienylthio)propanoic acid IUPAC Name: (2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanylpropanoic acid Traditional Name: (2R)-2-acetamido-3-(cyclohexa-2,4-dien-1-ylthio)propionic acid Formula: C11H15NO3S MolecularWeight: 241.3067

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CSC1CC=CC=C1)C(=O)O

InChI

InChI=1S/C11H15NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-5,9-10H,6-7H2,1H3,(H,12,13)(H,14,15)/t9?,10-/m0/s1