1-ethanoyl-3-methanoyl-3-(2-oxidanylideneethyl)-2-(2-sulfanylethyl)aziridine-2-carboxylic acid

Systemtic Name: 1-ethanoyl-3-methanoyl-3-(2-oxidanylideneethyl)-2-(2-sulfanylethyl)aziridine-2-carboxylic acid Openeye Name: 1-acetyl-3-formyl-3-(2-oxoethyl)-2-(2-sulfanylethyl)aziridine-2-carboxylic acid CAS Name: 1-acetyl-3-formyl-2-(2-mercaptoethyl)-3-(2-oxoethyl)-2-aziridinecarboxylic acid IUPAC Name: 1-acetyl-3-formyl-3-(2-oxoethyl)-2-(2-sulfanylethyl)aziridine-2-carboxylic acid Traditional Name: 1-acetyl-3-formyl-3-(2-ketoethyl)-2-(2-mercaptoethyl)ethylenimine-2-carboxylic acid Formula: C10H13NO5S MolecularWeight: 259.27892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C1(CC=O)C=O)(CCS)C(=O)O

Isomeric SMILES

CC(=O)N1C(C1(CC=O)C=O)(CCS)C(=O)O

InChI

InChI=1S/C10H13NO5S/c1-7(14)11-9(6-13,2-4-12)10(11,3-5-17)8(15)16/h4,6,17H,2-3,5H2,1H3,(H,15,16)