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

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-3-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-4-methyl-3-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-4-methyl-3-[[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-3-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-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-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C17H23N5O4S2 MolecularWeight: 425.52562

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C4=NN=C(S4)NC)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C4=NN=C(S4)NC)C(=O)O)C(C)O

InChI

InChI=1S/C17H23N5O4S2/c1-6-11-10(7(2)23)15(24)22(11)12(16(25)26)13(6)27-8-4-9(19-5-8)14-20-21-17(18-3)28-14/h6-11,19,23H,4-5H2,1-3H3,(H,18,21)(H,25,26)