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

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-3-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-5-(nonoxycarbonyloxymethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-4-methyl-3-(7-methylsulfanylimidazo[5,1-b]thiazol-2-yl)-5-(nonoxycarbonyloxymethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-4-methyl-3-[7-(methylthio)-2-imidazo[5,1-b]thiazolyl]-5-[[nonoxy(oxo)methoxy]methyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-3-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-5-(nonoxycarbonyloxymethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-3-[7-(methylthio)imidazo[5,1-b]thiazol-2-yl]-5-(nonoxycarbonyloxymethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C27H36N3O7S2- MolecularWeight: 578.72064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)OCC12C(C(=C(N1C(=O)C2C(C)O)C(=O)[O-])C3=CN4C=NC(=C4S3)SC)C

Isomeric SMILES

CCCCCCCCCOC(=O)OCC12C(C(=C(N1C(=O)C2C(C)O)C(=O)[O-])C3=CN4C=NC(=C4S3)SC)C

InChI

InChI=1S/C27H37N3O7S2/c1-5-6-7-8-9-10-11-12-36-26(35)37-14-27-16(2)19(18-13-29-15-28-22(38-4)24(29)39-18)21(25(33)34)30(27)23(32)20(27)17(3)31/h13,15-17,20,31H,5-12,14H2,1-4H3,(H,33,34)/p-1