2-acetamido-4-oxidanylidene-4-phenyl-butanethioic S-acid

Systemtic Name: 2-acetamido-4-oxidanylidene-4-phenyl-butanethioic S-acid Openeye Name: 2-acetamido-4-oxo-4-phenyl-butanethioic S-acid CAS Name: 2-acetamido-4-oxo-4-phenylbutanethioic S-acid IUPAC Name: 2-acetamido-4-oxo-4-phenylbutanethioic S-acid Traditional Name: 2-acetamido-4-keto-4-phenyl-thiobutyric acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3S/c1-8(14)13-10(12(16)17)7-11(15)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)(H,16,17)