6-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]-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]methyl]-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]methyl]-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]methyl]-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]methyl]-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]methyl]-7-keto-4-methyl-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(CC3CCN(C3)CCO)SC4CCNC4)C(=O)O

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(CC3CCN(C3)CCO)SC4CCNC4)C(=O)O

InChI

InChI=1S/C19H29N3O4S/c1-12-8-15(17(24)25)22-16(12)19(18(22)26,27-14-2-4-20-10-14)9-13-3-5-21(11-13)6-7-23/h8,12-14,16,20,23H,2-7,9-11H2,1H3,(H,24,25)