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

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-(1-propylpyrrolidin-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-7-oxo-3-(1-propylpyrrolidin-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-[(1-propyl-3-pyrrolidinyl)thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-(1-propylpyrrolidin-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[(1-propylpyrrolidin-3-yl)thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H22N2O4S2 MolecularWeight: 358.47618

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(C1)SC2=C(N3C(S2)C(C3=O)C(C)O)C(=O)O

Isomeric SMILES

CCCN1CCC(C1)SC2=C(N3C(S2)C(C3=O)C(C)O)C(=O)O

InChI

InChI=1S/C15H22N2O4S2/c1-3-5-16-6-4-9(7-16)22-15-11(14(20)21)17-12(19)10(8(2)18)13(17)23-15/h8-10,13,18H,3-7H2,1-2H3,(H,20,21)