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

Systemtic Name: 3-[2-(5-aminocarbonylpyrrolidin-3-yl)sulfanylethyl]-6-(1-hydroxyethyl)-4-methyl-6-(7-methylsulfanyl-6H-imidazo[5,1-b][1,3]thiazol-4-ium-2-yl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-[2-(5-carbamoylpyrrolidin-3-yl)sulfanylethyl]-6-(1-hydroxyethyl)-4-methyl-6-(7-methylsulfanyl-6H-imidazo[5,1-b]thiazol-4-ium-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[2-[(5-carbamoyl-3-pyrrolidinyl)thio]ethyl]-6-(1-hydroxyethyl)-4-methyl-6-[7-(methylthio)-6H-imidazo[5,1-b]thiazol-4-ium-2-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-[2-(5-carbamoylpyrrolidin-3-yl)sulfanylethyl]-6-(1-hydroxyethyl)-4-methyl-6-(7-methylsulfanyl-6H-imidazo[5,1-b][1,3]thiazol-4-ium-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[2-[(5-carbamoylpyrrolidin-3-yl)thio]ethyl]-6-(1-hydroxyethyl)-7-keto-4-methyl-6-[7-(methylthio)-6H-imidazo[5,1-b]thiazol-4-ium-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C23H29N5O5S3 MolecularWeight: 551.70186

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1CCSC3CC(NC3)C(=O)N)C(=O)[O-])(C4=C[N+]5=CNC(=C5S4)SC)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1CCSC3CC(NC3)C(=O)N)C(=O)[O-])(C4=C[N+]5=CNC(=C5S4)SC)C(C)O

InChI

InChI=1S/C23H29N5O5S3/c1-10-13(4-5-35-12-6-14(18(24)30)25-7-12)16(21(31)32)28-17(10)23(11(2)29,22(28)33)15-8-27-9-26-19(34-3)20(27)36-15/h8-12,14,17,25,29H,4-7H2,1-3H3,(H3,24,30,31,32)