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

Systemtic Name: 6-[3-(hydroxymethylamino)propyl]-4-methyl-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[3-(hydroxymethylamino)propyl]-4-methyl-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[3-(hydroxymethylamino)propyl]-4-methyl-7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[3-(hydroxymethylamino)propyl]-4-methyl-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-4-methyl-6-[3-(methylolamino)propyl]-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(CCCNCO)SC3CCNC3)C(=O)O

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(CCCNCO)SC3CCNC3)C(=O)O

InChI

InChI=1S/C16H25N3O4S/c1-10-7-12(14(21)22)19-13(10)16(15(19)23,4-2-5-18-9-20)24-11-3-6-17-8-11/h7,10-11,13,17-18,20H,2-6,8-9H2,1H3,(H,21,22)