sodium (4R)-4-methyl-3-[1-[4-(4-methylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]azetidin-3-yl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium (4R)-4-methyl-3-[1-[4-(4-methylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]azetidin-3-yl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (4R)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[1-[4-(4-methylpiperazine-1-carbonyl)thiazol-2-yl]azetidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (4R)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[[1-[4-[(4-methyl-1-piperazinyl)-oxomethyl]-2-thiazolyl]-3-azetidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (4R)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[1-[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]azetidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (4R)-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-3-[[1-[4-(4-methylpiperazine-1-carbonyl)thiazol-2-yl]azetidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C22H28N5NaO5S2 MolecularWeight: 529.60799

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CN(C3)C4=NC(=CS4)C(=O)N5CCN(CC5)C)C(=O)[O-])C(C)O.[Na+]

Isomeric SMILES

C[C@@H]1C2C(C(=O)N2C(=C1SC3CN(C3)C4=NC(=CS4)C(=O)N5CCN(CC5)C)C(=O)[O-])[C@@H](C)O.[Na+]

InChI

InChI=1S/C22H29N5O5S2.Na/c1-11-16-15(12(2)28)20(30)27(16)17(21(31)32)18(11)34-13-8-26(9-13)22-23-14(10-33-22)19(29)25-6-4-24(3)5-7-25;/h10-13,15-16,28H,4-9H2,1-3H3,(H,31,32);/q;+1/p-1/t11-,12-,15?,16?;/m1./s1