2-azanyl-3-(2-propylphenyl)-3-sulfanylidene-propanoic acid

Systemtic Name: 2-azanyl-3-(2-propylphenyl)-3-sulfanylidene-propanoic acid Openeye Name: 2-amino-3-(2-propylphenyl)-3-thioxo-propanoic acid CAS Name: 2-amino-3-(2-propylphenyl)-3-sulfanylidenepropanoic acid IUPAC Name: 2-amino-3-(2-propylphenyl)-3-sulfanylidenepropanoic acid Traditional Name: 2-amino-3-(2-propylphenyl)-3-thioxo-propionic acid Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1C(=S)C(C(=O)O)N

Isomeric SMILES

CCCC1=CC=CC=C1C(=S)C(C(=O)O)N

InChI

InChI=1S/C12H15NO2S/c1-2-5-8-6-3-4-7-9(8)11(16)10(13)12(14)15/h3-4,6-7,10H,2,5,13H2,1H3,(H,14,15)