2-(1-azanyl-1-oxidanylidene-butan-2-yl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(1-azanyl-1-oxidanylidene-butan-2-yl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-(1-carbamoylpropylsulfanyl)-2-phenyl-acetic acid CAS Name: 2-[(1-amino-1-oxobutan-2-yl)thio]-2-phenylacetic acid IUPAC Name: 2-(1-amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid Traditional Name: 2-(1-carbamoylpropylthio)-2-phenyl-acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)SC(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCC(C(=O)N)SC(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H15NO3S/c1-2-9(11(13)14)17-10(12(15)16)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H2,13,14)(H,15,16)