6-(1-hydroxyethyl)-4-methyl-3-[(5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-yl)sulfanyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-3-[(5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-yl)sulfanyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-4-methyl-3-(5-methylthiazolo[4,5-c]pyridin-5-ium-2-yl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-4-methyl-3-[(5-methyl-2-thiazolo[4,5-c]pyridin-5-iumyl)thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-3-[(5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-yl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-3-[(5-methylthiazolo[4,5-c]pyridin-5-ium-2-yl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C17H18N3O4S2+ MolecularWeight: 392.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3=NC4=C(S3)C=C[N+](=C4)C)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3=NC4=C(S3)C=C[N+](=C4)C)C(=O)O)C(C)O

InChI

InChI=1S/C17H17N3O4S2/c1-7-12-11(8(2)21)15(22)20(12)13(16(23)24)14(7)26-17-18-9-6-19(3)5-4-10(9)25-17/h4-8,11-12,21H,1-3H3/p+1