6-(1-fluoroethyl)-7-oxidanylidene-3-(1-phenylpyrrolidin-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-fluoroethyl)-7-oxidanylidene-3-(1-phenylpyrrolidin-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-fluoroethyl)-7-oxo-3-(1-phenylpyrrolidin-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-fluoroethyl)-7-oxo-3-[(1-phenyl-3-pyrrolidinyl)thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-fluoroethyl)-7-oxo-3-(1-phenylpyrrolidin-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-fluoroethyl)-7-keto-3-[(1-phenylpyrrolidin-3-yl)thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C18H18FN2O3S2- MolecularWeight: 393.475523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SC3CCN(C3)C4=CC=CC=C4)C(=O)[O-])F

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SC3CCN(C3)C4=CC=CC=C4)C(=O)[O-])F

InChI

InChI=1S/C18H19FN2O3S2/c1-10(19)13-15(22)21-14(17(23)24)18(26-16(13)21)25-12-7-8-20(9-12)11-5-3-2-4-6-11/h2-6,10,12-13,16H,7-9H2,1H3,(H,23,24)/p-1