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

Systemtic Name: 6-(1-hydroxyethyl)-6-[6-[(3-hydroxyphenyl)methyl]-7-methylsulfanyl-imidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-6-[6-[(3-hydroxyphenyl)methyl]-7-methylsulfanyl-imidazo[5,1-b]thiazol-6-ium-2-yl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-6-[6-[(3-hydroxyphenyl)methyl]-7-(methylthio)-2-imidazo[5,1-b]thiazol-6-iumyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-6-[6-[(3-hydroxyphenyl)methyl]-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-[6-(3-hydroxybenzyl)-7-(methylthio)imidazo[5,1-b]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C23H24N3O5S2+ MolecularWeight: 486.58376

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(C3=CN4C=[N+](C(=C4S3)SC)CC5=CC(=CC=C5)O)C(C)O)C(=O)O

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(C3=CN4C=[N+](C(=C4S3)SC)CC5=CC(=CC=C5)O)C(C)O)C(=O)O

InChI

InChI=1S/C23H23N3O5S2/c1-12-7-16(21(29)30)26-18(12)23(13(2)27,22(26)31)17-10-25-11-24(19(32-3)20(25)33-17)9-14-5-4-6-15(28)8-14/h4-8,10-13,18,27H,9H2,1-3H3,(H-,28,29,30)/p+1