6-[3-(4-methylpiperazin-1-yl)prop-1-en-2-yl]-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-[3-(4-methylpiperazin-1-yl)prop-1-en-2-yl]-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[1-[(4-methylpiperazin-1-yl)methyl]vinyl]-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[3-(4-methyl-1-piperazinyl)prop-1-en-2-yl]-7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[3-(4-methylpiperazin-1-yl)prop-1-en-2-yl]-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-6-[1-[(4-methylpiperazino)methyl]vinyl]-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=C)C2(C3CC=C(N3C2=O)C(=O)O)SC4CCNC4

Isomeric SMILES

CN1CCN(CC1)CC(=C)C2(C3CC=C(N3C2=O)C(=O)O)SC4CCNC4

InChI

InChI=1S/C19H28N4O3S/c1-13(12-22-9-7-21(2)8-10-22)19(27-14-5-6-20-11-14)16-4-3-15(17(24)25)23(16)18(19)26/h3,14,16,20H,1,4-12H2,2H3,(H,24,25)