6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-(5-piperidin-4-ylpyrrolidin-3-yl)sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-(5-piperidin-4-ylpyrrolidin-3-yl)sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-[5-(4-piperidyl)pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-[[5-(4-piperidinyl)-3-pyrrolidinyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(5-piperidin-4-ylpyrrolidin-3-yl)sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-3-[[5-(4-piperidyl)pyrrolidin-3-yl]thio]-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:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C4CCNCC4)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C4CCNCC4)C(=O)O)C(C)O

InChI

InChI=1S/C19H29N3O4S/c1-9-15-14(10(2)23)18(24)22(15)16(19(25)26)17(9)27-12-7-13(21-8-12)11-3-5-20-6-4-11/h9-15,20-21,23H,3-8H2,1-2H3,(H,25,26)