6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-[5-(5-oxidanylidene-2-prop-2-enoxycarbonyl-pyrazolidin-3-yl)-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-[5-(5-oxidanylidene-2-prop-2-enoxycarbonyl-pyrazolidin-3-yl)-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[1-allyloxycarbonyl-5-(2-allyloxycarbonyl-5-oxo-pyrazolidin-3-yl)pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-[[5-[5-oxo-2-[oxo(prop-2-enoxy)methyl]-3-pyrazolidinyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-[5-(5-oxo-2-prop-2-enoxycarbonylpyrazolidin-3-yl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[[1-allyloxycarbonyl-5-(2-allyloxycarbonyl-5-keto-pyrazolidin-3-yl)pyrrolidin-3-yl]thio]-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C25H32N4O9S MolecularWeight: 564.60798

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC=C)C4CC(=O)NN4C(=O)OCC=C)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC=C)C4CC(=O)NN4C(=O)OCC=C)C(=O)O)C(C)O

InChI

InChI=1S/C25H32N4O9S/c1-5-7-37-24(35)27-11-14(9-15(27)16-10-17(31)26-29(16)25(36)38-8-6-2)39-21-12(3)19-18(13(4)30)22(32)28(19)20(21)23(33)34/h5-6,12-16,18-19,30H,1-2,7-11H2,3-4H3,(H,26,31)(H,33,34)