7-oxidanylidene-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 7-oxidanylidene-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 7-oxo-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-6-[oxo-[3-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl]-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 7-oxo-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-6-[3-(pyrrolidinomethyl)pyrrolidine-1-carbonyl]-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C21H29N4O4S- MolecularWeight: 433.54436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CCN(C2)C(=O)C3(C4CC=C(N4C3=O)C(=O)[O-])SC5CCNC5

Isomeric SMILES

C1CCN(C1)CC2CCN(C2)C(=O)C3(C4CC=C(N4C3=O)C(=O)[O-])SC5CCNC5

InChI

InChI=1S/C21H30N4O4S/c26-18(27)16-3-4-17-21(20(29)25(16)17,30-15-5-7-22-11-15)19(28)24-10-6-14(13-24)12-23-8-1-2-9-23/h3,14-15,17,22H,1-2,4-13H2,(H,26,27)/p-1