7-azanyl-3-[(E)-[1-[5-(dimethylcarbamoyl)-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]-2-oxidanylidene-pyrrolidin-3-ylidene]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[(E)-[1-[5-(dimethylcarbamoyl)-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]-2-oxidanylidene-pyrrolidin-3-ylidene]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(E)-[1-[1-allyloxycarbonyl-5-(dimethylcarbamoyl)pyrrolidin-3-yl]-2-oxo-pyrrolidin-3-ylidene]methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[(E)-[1-[5-[dimethylamino(oxo)methyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]-2-oxo-3-pyrrolidinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(E)-[1-[5-(dimethylcarbamoyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-2-oxopyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(E)-[1-[1-allyloxycarbonyl-5-(dimethylcarbamoyl)pyrrolidin-3-yl]-2-keto-pyrrolidin-3-ylidene]methyl]-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H29N5O7S MolecularWeight: 519.57066

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CC(CN1C(=O)OCC=C)N2CCC(=CC3=C(N4C(C(C4=O)N)SC3)C(=O)O)C2=O

Isomeric SMILES

CN(C)C(=O)C1CC(CN1C(=O)OCC=C)N2CC/C(=C\C3=C(N4C(C(C4=O)N)SC3)C(=O)O)/C2=O

InChI

InChI=1S/C23H29N5O7S/c1-4-7-35-23(34)27-10-14(9-15(27)19(30)25(2)3)26-6-5-12(18(26)29)8-13-11-36-21-16(24)20(31)28(21)17(13)22(32)33/h4,8,14-16,21H,1,5-7,9-11,24H2,2-3H3,(H,32,33)/b12-8+