(4R,5S,6S)-4-methyl-3-[(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-1-ium-7-yl)sulfanyl]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4R,5S,6S)-4-methyl-3-[(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-1-ium-7-yl)sulfanyl]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-1-ium-7-yl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-1-ium-7-yl)thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-1-ium-7-yl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-3-[(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-1-ium-7-yl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CCN4C3=[N+](C=N4)C)C(=O)[O-])C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CCN4C3=[N+](C=N4)C)C(=O)[O-])[C@@H](C)O

InChI

InChI=1S/C16H20N4O4S/c1-7-11-10(8(2)21)15(22)20(11)12(16(23)24)13(7)25-9-4-5-19-14(9)18(3)6-17-19/h6-11,21H,4-5H2,1-3H3/t7-,8-,9?,10-,11-/m1/s1