2-azanyl-3-sulfanyl-propanoic acid; 1-ethylpyrrole-2,5-dione

Systemtic Name: 2-azanyl-3-sulfanyl-propanoic acid; 1-ethylpyrrole-2,5-dione Openeye Name: 2-amino-3-sulfanyl-propanoic acid; 1-ethylpyrrole-2,5-dione CAS Name: 2-amino-3-mercaptopropanoic acid; 1-ethylpyrrole-2,5-dione IUPAC Name: 2-amino-3-sulfanylpropanoic acid; 1-ethylpyrrole-2,5-dione Traditional Name: 2-amino-3-mercapto-propionic acid; 1-ethyl-3-pyrroline-2,5-quinone Formula: C9H14N2O4S MolecularWeight: 246.28346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C=CC1=O.C(C(C(=O)O)N)S

Isomeric SMILES

CCN1C(=O)C=CC1=O.C(C(C(=O)O)N)S

InChI

InChI=1S/C6H7NO2.C3H7NO2S/c1-2-7-5(8)3-4-6(7)9;4-2(1-7)3(5)6/h3-4H,2H2,1H3;2,7H,1,4H2,(H,5,6)