6-(1-hydroxyethyl)-7-oxidanylidene-3-phenethylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-phenethylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-7-oxo-3-phenethylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-(phenethylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-phenethylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-(phenethylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SCCC3=CC=CC=C3)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SCCC3=CC=CC=C3)C(=O)O)O

InChI

InChI=1S/C16H17NO4S2/c1-9(18)11-13(19)17-12(15(20)21)16(23-14(11)17)22-8-7-10-5-3-2-4-6-10/h2-6,9,11,14,18H,7-8H2,1H3,(H,20,21)