[6-[[3-(acetyloxymethyl)-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]azanium

Systemtic Name: [6-[[3-(acetyloxymethyl)-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]azanium Openeye Name: [5-[[3-(acetoxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-1-carboxy-5-oxo-pentyl]ammonium CAS Name: [6-[[3-(acetyloxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-1-hydroxy-1,6-dioxohexan-2-yl]ammonium IUPAC Name: [6-[[3-(acetyloxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-1-hydroxy-1,6-dioxohexan-2-yl]azanium Traditional Name: [5-[[3-(acetoxymethyl)-2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-1-carboxy-5-keto-pentyl]ammonium Formula: C16H22N3O8S+ MolecularWeight: 416.42618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)[NH3+])SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)[NH3+])SC1)C(=O)O

InChI

InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/p+1