3-oxidanyl-2-(phenylcarbamothioylamino)propanoate

Systemtic Name: 3-oxidanyl-2-(phenylcarbamothioylamino)propanoate Openeye Name: 3-hydroxy-2-(phenylcarbamothioylamino)propanoate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-3-hydroxypropanoate IUPAC Name: 3-hydroxy-2-(phenylcarbamothioylamino)propanoate Traditional Name: 3-hydroxy-2-(phenylthiocarbamoylamino)propionate Formula: C10H11N2O3S- MolecularWeight: 239.27094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC(CO)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC(CO)C(=O)[O-]

InChI

InChI=1S/C10H12N2O3S/c13-6-8(9(14)15)12-10(16)11-7-4-2-1-3-5-7/h1-5,8,13H,6H2,(H,14,15)(H2,11,12,16)/p-1