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

Systemtic Name: aziridin-2-one; 2-ethylsulfanyl-2-methyl-3-thiophen-3-ylcarbonyl-butanedioic acid Openeye Name: aziridin-2-one; 2-ethylsulfanyl-2-methyl-3-(thiophene-3-carbonyl)butanedioic acid CAS Name: 2-aziridinone; 2-(ethylthio)-2-methyl-3-[oxo(3-thiophenyl)methyl]butanedioic acid IUPAC Name: aziridin-2-one; 2-ethylsulfanyl-2-methyl-3-(thiophene-3-carbonyl)butanedioic acid Traditional Name: ethylenimin-2-one; 2-(ethylthio)-2-methyl-3-(3-thenoyl)succinic acid Formula: C14H17NO6S2 MolecularWeight: 359.41788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(C(C(=O)C1=CSC=C1)C(=O)O)C(=O)O.C1C(=O)N1

Isomeric SMILES

CCSC(C)(C(C(=O)C1=CSC=C1)C(=O)O)C(=O)O.C1C(=O)N1

InChI

InChI=1S/C12H14O5S2.C2H3NO/c1-3-19-12(2,11(16)17)8(10(14)15)9(13)7-4-5-18-6-7;4-2-1-3-2/h4-6,8H,3H2,1-2H3,(H,14,15)(H,16,17);1H2,(H,3,4)