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

Systemtic Name: 3-(1-azanyl-4-ethylsulfanyl-butyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(1-amino-4-ethylsulfanyl-butyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[1-amino-4-(ethylthio)butyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-amino-4-ethylsulfanylbutyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[1-amino-4-(ethylthio)butyl]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H22N2O4S2 MolecularWeight: 346.46548

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCCC(C1=C(N2C(S1)C(C2=O)C(C)O)C(=O)O)N

Isomeric SMILES

CCSCCCC(C1=C(N2C(S1)C(C2=O)C(C)O)C(=O)O)N

InChI

InChI=1S/C14H22N2O4S2/c1-3-21-6-4-5-8(15)11-10(14(19)20)16-12(18)9(7(2)17)13(16)22-11/h7-9,13,17H,3-6,15H2,1-2H3,(H,19,20)