3-[5-(dimethylcarbamoyl)-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-5-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 3-[5-(dimethylcarbamoyl)-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-5-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-[5-(dimethylcarbamoyl)-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-5-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[[5-[dimethylamino(oxo)methyl]-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]thio]-5-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-[5-(dimethylcarbamoyl)-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-5-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[[5-(dimethylcarbamoyl)-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thio]-5-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C25H29N4O9S- MolecularWeight: 561.58416

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(N2C1(CC2=O)C(C)O)C(=O)[O-])SC3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N(C)C

Isomeric SMILES

CC1C(=C(N2C1(CC2=O)C(C)O)C(=O)[O-])SC3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N(C)C

InChI

InChI=1S/C25H30N4O9S/c1-13-21(20(23(33)34)28-19(31)10-25(13,28)14(2)30)39-17-9-18(22(32)26(3)4)27(11-17)24(35)38-12-15-5-7-16(8-6-15)29(36)37/h5-8,13-14,17-18,30H,9-12H2,1-4H3,(H,33,34)/p-1