6-(1-hydroxyethyl)-7-oxidanylidene-3-(2-piperazin-1-ylethylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-(2-piperazin-1-ylethylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-7-oxo-3-(2-piperazin-1-ylethylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-[2-(1-piperazinyl)ethylthio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-(2-piperazin-1-ylethylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-(2-piperazinoethylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C14H20N3O4S2- MolecularWeight: 358.4563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SCCN3CCNCC3)C(=O)[O-])O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SCCN3CCNCC3)C(=O)[O-])O

InChI

InChI=1S/C14H21N3O4S2/c1-8(18)9-11(19)17-10(13(20)21)14(23-12(9)17)22-7-6-16-4-2-15-3-5-16/h8-9,12,15,18H,2-7H2,1H3,(H,20,21)/p-1