potassium (4R,5S,6S)-3-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: potassium (4R,5S,6S)-3-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: potassium (4R,5S,6S)-3-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: potassium (4R,5S,6S)-3-[[1-[(3,4-dimethoxyphenyl)methyl]-3-azetidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: potassium (4R,5S,6S)-3-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: potassium (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-3-[(1-veratrylazetidin-3-yl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C22H27KN2O6S MolecularWeight: 486.62288

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CN(C3)CC4=CC(=C(C=C4)OC)OC)C(=O)[O-])C(C)O.[K+]

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN(C3)CC4=CC(=C(C=C4)OC)OC)C(=O)[O-])[C@@H](C)O.[K+]

InChI

InChI=1S/C22H28N2O6S.K/c1-11-18-17(12(2)25)21(26)24(18)19(22(27)28)20(11)31-14-9-23(10-14)8-13-5-6-15(29-3)16(7-13)30-4;/h5-7,11-12,14,17-18,25H,8-10H2,1-4H3,(H,27,28);/q;+1/p-1/t11-,12-,17-,18-;/m1./s1