6-(1-hydroxyethyl)-3-(2-naphthalen-1-ylethyl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-3-(2-naphthalen-1-ylethyl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-3-[2-(1-naphthyl)ethyl]-7-thioxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-3-[2-(1-naphthalenyl)ethyl]-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-3-(2-naphthalen-1-ylethyl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-3-[2-(1-naphthyl)ethyl]-7-thioxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C20H19NO3S2 MolecularWeight: 385.49976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=S)C(=C(S2)CCC3=CC=CC4=CC=CC=C43)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=S)C(=C(S2)CCC3=CC=CC4=CC=CC=C43)C(=O)O)O

InChI

InChI=1S/C20H19NO3S2/c1-11(22)16-18(25)21-17(20(23)24)15(26-19(16)21)10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11,16,19,22H,9-10H2,1H3,(H,23,24)