3-[5-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[5-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[5-(4,5-dihydrothiazol-2-yl)pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[[5-(4,5-dihydrothiazol-2-yl)-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[5-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-3-[[5-(2-thiazolin-2-yl)pyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C17H23N3O4S2 MolecularWeight: 397.51222

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C4=NCCS4)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C4=NCCS4)C(=O)O)C(C)O

InChI

InChI=1S/C17H23N3O4S2/c1-7-12-11(8(2)21)16(22)20(12)13(17(23)24)14(7)26-9-5-10(19-6-9)15-18-3-4-25-15/h7-12,19,21H,3-6H2,1-2H3,(H,23,24)