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

Systemtic Name: 6-[6-(3-azanylpropyl)-7-methylsulfanyl-imidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[6-(3-aminopropyl)-7-methylsulfanyl-imidazo[5,1-b]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[6-(3-aminopropyl)-7-(methylthio)-2-imidazo[5,1-b]thiazol-6-iumyl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[6-(3-aminopropyl)-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-[6-(3-aminopropyl)-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: C19H25N4O4S2+ MolecularWeight: 437.5562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S2/c1-10-7-12(17(25)26)23-14(10)19(11(2)24,18(23)27)13-8-22-9-21(6-4-5-20)15(28-3)16(22)29-13/h7-11,14,24H,4-6,20H2,1-3H3/p+1