aziridin-2-one; 2-ethylsulfanyl-2-methyl-3-pyridin-3-ylcarbonyl-butanedioic acid

Systemtic Name: aziridin-2-one; 2-ethylsulfanyl-2-methyl-3-pyridin-3-ylcarbonyl-butanedioic acid Openeye Name: aziridin-2-one; 2-ethylsulfanyl-2-methyl-3-(pyridine-3-carbonyl)butanedioic acid CAS Name: 2-aziridinone; 2-(ethylthio)-2-methyl-3-[oxo(3-pyridinyl)methyl]butanedioic acid IUPAC Name: aziridin-2-one; 2-ethylsulfanyl-2-methyl-3-(pyridine-3-carbonyl)butanedioic acid Traditional Name: ethylenimin-2-one; 2-(ethylthio)-2-methyl-3-nicotinoyl-succinic acid Formula: C15H18N2O6S MolecularWeight: 354.37822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(C(C(=O)C1=CN=CC=C1)C(=O)O)C(=O)O.C1C(=O)N1

Isomeric SMILES

CCSC(C)(C(C(=O)C1=CN=CC=C1)C(=O)O)C(=O)O.C1C(=O)N1

InChI

InChI=1S/C13H15NO5S.C2H3NO/c1-3-20-13(2,12(18)19)9(11(16)17)10(15)8-5-4-6-14-7-8;4-2-1-3-2/h4-7,9H,3H2,1-2H3,(H,16,17)(H,18,19);1H2,(H,3,4)