6-(1-hydroxyethyl)-4-methyl-6-[7-methylsulfanyl-6-[3-(sulfamoylamino)propyl]imidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-6-[7-methylsulfanyl-6-[3-(sulfamoylamino)propyl]imidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-4-methyl-6-[7-methylsulfanyl-6-[3-(sulfamoylamino)propyl]imidazo[5,1-b]thiazol-6-ium-2-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-4-methyl-6-[7-(methylthio)-6-[3-(sulfamoylamino)propyl]-2-imidazo[5,1-b]thiazol-6-iumyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-6-[7-methylsulfanyl-6-[3-(sulfamoylamino)propyl]imidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-6-[7-(methylthio)-6-[3-(sulfamoylamino)propyl]imidazo[5,1-b]thiazol-6-ium-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C19H25N5O6S3 MolecularWeight: 515.6267

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(C3=CN4C=[N+](C(=C4S3)SC)CCCNS(=O)(=O)N)C(C)O)C(=O)[O-]

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(C3=CN4C=[N+](C(=C4S3)SC)CCCNS(=O)(=O)N)C(C)O)C(=O)[O-]

InChI

InChI=1S/C19H25N5O6S3/c1-10-7-12(17(26)27)24-14(10)19(11(2)25,18(24)28)13-8-23-9-22(15(31-3)16(23)32-13)6-4-5-21-33(20,29)30/h7-11,14,21,25H,4-6H2,1-3H3,(H2-,20,26,27,29,30)