2-naphthalen-2-ylsulfanylethylsulfanyl (5R,6S)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 2-naphthalen-2-ylsulfanylethylsulfanyl (5R,6S)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 2-(2-naphthylsulfanyl)ethylsulfanyl (5R,6S)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (5R,6S)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [2-(2-naphthalenylthio)ethylthio] ester IUPAC Name: 2-naphthalen-2-ylsulfanylethylsulfanyl (5R,6S)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (5R,6S)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [2-(2-naphthylthio)ethylthio] ester Formula: C20H19NO4S3 MolecularWeight: 433.56416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=CS2)C(=O)OSCCSC3=CC4=CC=CC=C4C=C3)O

Isomeric SMILES

CC([C@@H]1[C@@H]2N(C1=O)C(=CS2)C(=O)OSCCSC3=CC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C20H19NO4S3/c1-12(22)17-18(23)21-16(11-27-19(17)21)20(24)25-28-9-8-26-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10-12,17,19,22H,8-9H2,1H3/t12?,17-,19+/m0/s1