5-methyl-4-pyrrolidin-3-yl-3-sulfanyl-2,3-dihydropyrrol-4-ol; 7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 5-methyl-4-pyrrolidin-3-yl-3-sulfanyl-2,3-dihydropyrrol-4-ol; 7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 5-methyl-4-pyrrolidin-3-yl-3-sulfanyl-2,3-dihydropyrrol-4-ol; 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-mercapto-5-methyl-4-(3-pyrrolidinyl)-2,3-dihydropyrrol-4-ol; 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 5-methyl-4-pyrrolidin-3-yl-3-sulfanyl-2,3-dihydropyrrol-4-ol; 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; 4-mercapto-2-methyl-3-pyrrolidin-3-yl-1-pyrrolin-3-ol Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NCC(C1(C2CCNC2)O)S.C1C=C(N2C1CC2=O)C(=O)O

Isomeric SMILES

CC1=NCC(C1(C2CCNC2)O)S.C1C=C(N2C1CC2=O)C(=O)O

InChI

InChI=1S/C9H16N2OS.C7H7NO3/c1-6-9(12,8(13)5-11-6)7-2-3-10-4-7;9-6-3-4-1-2-5(7(10)11)8(4)6/h7-8,10,12-13H,2-5H2,1H3;2,4H,1,3H2,(H,10,11)