3-(carboxymethylsulfanyl)-2-(phenylcarbamothioylamino)propanoic acid

Systemtic Name: 3-(carboxymethylsulfanyl)-2-(phenylcarbamothioylamino)propanoic acid Openeye Name: 3-(carboxymethylsulfanyl)-2-(phenylcarbamothioylamino)propanoic acid CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-3-(carboxymethylthio)propanoic acid IUPAC Name: 3-(carboxymethylsulfanyl)-2-(phenylcarbamothioylamino)propanoic acid Traditional Name: 3-(carboxymethylthio)-2-(phenylthiocarbamoylamino)propionic acid Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S2/c15-10(16)7-20-6-9(11(17)18)14-12(19)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)(H,17,18)(H2,13,14,19)