7-oxidanylidene-6-[(E)-3-oxidanylidene-3-piperazin-1-yl-prop-1-enyl]-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 7-oxidanylidene-6-[(E)-3-oxidanylidene-3-piperazin-1-yl-prop-1-enyl]-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 7-oxo-6-[(E)-3-oxo-3-piperazin-1-yl-prop-1-enyl]-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 7-oxo-6-[(E)-3-oxo-3-(1-piperazinyl)prop-1-enyl]-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 7-oxo-6-[(E)-3-oxo-3-piperazin-1-ylprop-1-enyl]-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-6-[(E)-3-keto-3-piperazino-prop-1-enyl]-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1SC2(C3CC=C(N3C2=O)C(=O)O)C=CC(=O)N4CCNCC4

Isomeric SMILES

C1CNCC1SC2(C3CC=C(N3C2=O)C(=O)O)/C=C/C(=O)N4CCNCC4

InChI

InChI=1S/C18H24N4O4S/c23-15(21-9-7-19-8-10-21)3-5-18(27-12-4-6-20-11-12)14-2-1-13(16(24)25)22(14)17(18)26/h1,3,5,12,14,19-20H,2,4,6-11H2,(H,24,25)/b5-3+