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

Systemtic Name: 3-[5-[[2-(aminocarbonylamino)-2-oxidanylidene-ethoxy]methyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-[1-allyloxycarbonyl-5-[(2-oxo-2-ureido-ethoxy)methyl]pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[[5-[[2-(carbamoylamino)-2-oxoethoxy]methyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-[5-[[2-(carbamoylamino)-2-oxoethoxy]methyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[[1-allyloxycarbonyl-5-[(2-keto-2-ureido-ethoxy)methyl]pyrrolidin-3-yl]thio]-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C22H29N4O9S- MolecularWeight: 525.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC=C)COCC(=O)NC(=O)N)C(=O)[O-])C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC=C)COCC(=O)NC(=O)N)C(=O)[O-])C(C)O

InChI

InChI=1S/C22H30N4O9S/c1-4-5-35-22(33)25-7-13(6-12(25)8-34-9-14(28)24-21(23)32)36-18-10(2)16-15(11(3)27)19(29)26(16)17(18)20(30)31/h4,10-13,15-16,27H,1,5-9H2,2-3H3,(H,30,31)(H3,23,24,28,32)/p-1