2-azanylbutanedioic acid; 1-phenylsulfanylimidazolidine-2,4-dione

Systemtic Name: 2-azanylbutanedioic acid; 1-phenylsulfanylimidazolidine-2,4-dione Openeye Name: 2-aminobutanedioic acid; 1-phenylsulfanylimidazolidine-2,4-dione CAS Name: 2-aminobutanedioic acid; 1-(phenylthio)imidazolidine-2,4-dione IUPAC Name: 2-aminobutanedioic acid; 1-phenylsulfanylimidazolidine-2,4-dione Traditional Name: 2-aminosuccinic acid; 1-(phenylthio)hydantoin Formula: C13H15N3O6S MolecularWeight: 341.3397

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=O)N1SC2=CC=CC=C2.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

C1C(=O)NC(=O)N1SC2=CC=CC=C2.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C9H8N2O2S.C4H7NO4/c12-8-6-11(9(13)10-8)14-7-4-2-1-3-5-7;5-2(4(8)9)1-3(6)7/h1-5H,6H2,(H,10,12,13);2H,1,5H2,(H,6,7)(H,8,9)