[7-[2,3-bis(oxidanyl)propylsulfanyl]imidazo[5,1-b][1,3]thiazol-2-yl] 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: [7-[2,3-bis(oxidanyl)propylsulfanyl]imidazo[5,1-b][1,3]thiazol-2-yl] 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: [7-(2,3-dihydroxypropylsulfanyl)imidazo[5,1-b]thiazol-2-yl] 6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [7-(2,3-dihydroxypropylthio)-2-imidazo[5,1-b]thiazolyl] ester IUPAC Name: [7-(2,3-dihydroxypropylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl] 6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [7-(glycerylthio)imidazo[5,1-b]thiazol-2-yl] ester Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)C(C)O)C(=O)OC3=CN4C=NC(=C4S3)SCC(CO)O

Isomeric SMILES

CC1C=C(N2C1C(C2=O)C(C)O)C(=O)OC3=CN4C=NC(=C4S3)SCC(CO)O

InChI

InChI=1S/C18H21N3O6S2/c1-8-3-11(21-14(8)13(9(2)23)16(21)25)18(26)27-12-4-20-7-19-15(17(20)29-12)28-6-10(24)5-22/h3-4,7-10,13-14,22-24H,5-6H2,1-2H3