6-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-4-methyl-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-4-methyl-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-4-methyl-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[1-(2-hydroxyethyl)-3-pyrrolidinyl]-4-methyl-7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-4-methyl-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-7-keto-4-methyl-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(C3CCN(C3)CCO)SC4CCNC4)C(=O)O

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(C3CCN(C3)CCO)SC4CCNC4)C(=O)O

InChI

InChI=1S/C18H27N3O4S/c1-11-8-14(16(23)24)21-15(11)18(17(21)25,26-13-2-4-19-9-13)12-3-5-20(10-12)6-7-22/h8,11-13,15,19,22H,2-7,9-10H2,1H3,(H,23,24)