6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-(5-pyrrolidin-2-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-pyrrolidin-2-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-pyrrolidin-2-ylpyrrolidin-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-(2-pyrrolidinyl)-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-pyrrolidin-2-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-pyrrolidin-2-ylpyrrolidin-3-yl)thio]-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:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C4CCCN4)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C4CCCN4)C(=O)O)C(C)O

InChI

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