2-[(3-phenyl-2-sulfanylidene-propanoyl)amino]propanedioic acid

Systemtic Name: 2-[(3-phenyl-2-sulfanylidene-propanoyl)amino]propanedioic acid Openeye Name: 2-[(3-phenyl-2-thioxo-propanoyl)amino]propanedioic acid CAS Name: 2-[(1-oxo-3-phenyl-2-sulfanylidenepropyl)amino]propanedioic acid IUPAC Name: 2-[(3-phenyl-2-sulfanylidenepropanoyl)amino]propanedioic acid Traditional Name: 2-[(3-phenyl-2-thioxo-propanoyl)amino]malonic acid Formula: C12H11NO5S MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO5S/c14-10(13-9(11(15)16)12(17)18)8(19)6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,13,14)(H,15,16)(H,17,18)