sodium (4R,5S,6S)-4-methyl-3-[(Z)-2-[4-(3-oxidanylazetidin-1-yl)carbonyl-1,3-thiazol-5-yl]ethenyl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium (4R,5S,6S)-4-methyl-3-[(Z)-2-[4-(3-oxidanylazetidin-1-yl)carbonyl-1,3-thiazol-5-yl]ethenyl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (4R,5S,6S)-3-[(Z)-2-[4-(3-hydroxyazetidine-1-carbonyl)thiazol-5-yl]vinyl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (4R,5S,6S)-3-[[(Z)-2-[4-[(3-hydroxy-1-azetidinyl)-oxomethyl]-5-thiazolyl]ethenyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (4R,5S,6S)-3-[(Z)-2-[4-(3-hydroxyazetidine-1-carbonyl)-1,3-thiazol-5-yl]ethenyl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (4R,5S,6S)-3-[[(Z)-2-[4-(3-hydroxyazetidine-1-carbonyl)thiazol-5-yl]vinyl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C19H20N3NaO6S2 MolecularWeight: 473.49837

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC=CC3=C(N=CS3)C(=O)N4CC(C4)O)C(=O)[O-])C(C)O.[Na+]

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S/C=C\C3=C(N=CS3)C(=O)N4CC(C4)O)C(=O)[O-])[C@@H](C)O.[Na+]

InChI

InChI=1S/C19H21N3O6S2.Na/c1-8-14-12(9(2)23)17(25)22(14)15(19(27)28)16(8)29-4-3-11-13(20-7-30-11)18(26)21-5-10(24)6-21;/h3-4,7-10,12,14,23-24H,5-6H2,1-2H3,(H,27,28);/q;+1/p-1/b4-3-;/t8-,9-,12-,14-;/m1./s1