sodium 3-[[5-[2-(dimethylamino)-2-oxidanylidene-ethyl]-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-yl]sulfanyl]-4-methyl-6-(1-oxidanidylethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 3-[[5-[2-(dimethylamino)-2-oxidanylidene-ethyl]-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-yl]sulfanyl]-4-methyl-6-(1-oxidanidylethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-[5-[2-(dimethylamino)-2-oxo-ethyl]thiazolo[4,5-c]pyridin-5-ium-2-yl]sulfanyl-4-methyl-6-(1-oxidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-[[5-[2-(dimethylamino)-2-oxoethyl]-2-thiazolo[4,5-c]pyridin-5-iumyl]thio]-4-methyl-6-(1-oxidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-[[5-[2-(dimethylamino)-2-oxoethyl]-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-yl]sulfanyl]-4-methyl-6-(1-oxidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 3-[[5-[2-(dimethylamino)-2-keto-ethyl]thiazolo[4,5-c]pyridin-5-ium-2-yl]thio]-7-keto-4-methyl-6-(1-oxidoethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C20H21N4NaO5S2 MolecularWeight: 484.52431

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3=NC4=C(S3)C=C[N+](=C4)CC(=O)N(C)C)C(=O)[O-])C(C)[O-].[Na+]

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3=NC4=C(S3)C=C[N+](=C4)CC(=O)N(C)C)C(=O)[O-])C(C)[O-].[Na+]

InChI

InChI=1S/C20H22N4O5S2.Na/c1-9-15-14(10(2)25)18(27)24(15)16(19(28)29)17(9)31-20-21-11-7-23(6-5-12(11)30-20)8-13(26)22(3)4;/h5-7,9-10,14-15H,8H2,1-4H3,(H,28,29);/q;+1/p-1