ethyl (6S)-7-azanyl-3-[(2-methanoylfuran-3-yl)carbonylsulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: ethyl (6S)-7-azanyl-3-[(2-methanoylfuran-3-yl)carbonylsulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: ethyl (6S)-7-amino-3-[(2-formylfuran-3-carbonyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S)-7-amino-3-[[[(2-formyl-3-furanyl)-oxomethyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-7-amino-3-[(2-formylfuran-3-carbonyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S)-7-amino-3-[[(2-formyl-3-furoyl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ethyl ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CSC2N1C(=O)C2N)CSC(=O)C3=C(OC=C3)C=O

Isomeric SMILES

CCOC(=O)C1=C(CS[C@@H]2N1C(=O)C2N)CSC(=O)C3=C(OC=C3)C=O

InChI

InChI=1S/C16H16N2O6S2/c1-2-23-15(21)12-8(6-25-14-11(17)13(20)18(12)14)7-26-16(22)9-3-4-24-10(9)5-19/h3-5,11,14H,2,6-7,17H2,1H3/t11?,14-/m0/s1