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

Systemtic Name: 8-oxidanylidene-3-[(E)-[2-oxidanylidene-1-(1-prop-2-enoxycarbonylazetidin-3-yl)pyrrolidin-3-ylidene]methyl]-7-(2-phenylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(E)-[1-(1-allyloxycarbonylazetidin-3-yl)-2-oxo-pyrrolidin-3-ylidene]methyl]-8-oxo-7-[(2-phenylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-3-[(E)-[2-oxo-1-[1-[oxo(prop-2-enoxy)methyl]-3-azetidinyl]-3-pyrrolidinylidene]methyl]-7-[[1-oxo-2-(phenylthio)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-3-[(E)-[2-oxo-1-(1-prop-2-enoxycarbonylazetidin-3-yl)pyrrolidin-3-ylidene]methyl]-7-[(2-phenylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(E)-[1-(1-allyloxycarbonylazetidin-3-yl)-2-keto-pyrrolidin-3-ylidene]methyl]-8-keto-7-[[2-(phenylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C27H28N4O7S2 MolecularWeight: 584.66382

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(C1)N2CCC(=CC3=C(N4C(C(C4=O)NC(=O)CSC5=CC=CC=C5)SC3)C(=O)O)C2=O

Isomeric SMILES

C=CCOC(=O)N1CC(C1)N2CC/C(=C\C3=C(N4C(C(C4=O)NC(=O)CSC5=CC=CC=C5)SC3)C(=O)O)/C2=O

InChI

InChI=1S/C27H28N4O7S2/c1-2-10-38-27(37)29-12-18(13-29)30-9-8-16(23(30)33)11-17-14-40-25-21(24(34)31(25)22(17)26(35)36)28-20(32)15-39-19-6-4-3-5-7-19/h2-7,11,18,21,25H,1,8-10,12-15H2,(H,28,32)(H,35,36)/b16-11+