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

Systemtic Name: 7-oxidanylidene-6-(3-oxidanylidene-3-piperazin-1-yl-prop-1-en-2-yl)-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 7-oxo-6-[1-(piperazine-1-carbonyl)vinyl]-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 7-oxo-6-[3-oxo-3-(1-piperazinyl)prop-1-en-2-yl]-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 7-oxo-6-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-6-[1-(piperazine-1-carbonyl)vinyl]-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:

C=C(C(=O)N1CCNCC1)C2(C3CC=C(N3C2=O)C(=O)O)SC4CCNC4

Isomeric SMILES

C=C(C(=O)N1CCNCC1)C2(C3CC=C(N3C2=O)C(=O)O)SC4CCNC4

InChI

InChI=1S/C18H24N4O4S/c1-11(15(23)21-8-6-19-7-9-21)18(27-12-4-5-20-10-12)14-3-2-13(16(24)25)22(14)17(18)26/h2,12,14,19-20H,1,3-10H2,(H,24,25)