3-[[1-[2-(methylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[[1-[2-(methylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[1-[2-(methylamino)-2-oxo-ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[[1-[2-(methylamino)-2-oxoethyl]-5-tetrazolyl]thio]methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[1-[2-(methylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-[[[1-[2-keto-2-(methylamino)ethyl]tetrazol-5-yl]thio]methyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H19N7O5S3 MolecularWeight: 509.58236

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

Isomeric SMILES

CNC(=O)CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

InChI

InChI=1S/C18H19N7O5S3/c1-19-12(27)6-24-18(21-22-23-24)33-8-9-7-32-16-13(15(28)25(16)14(9)17(29)30)20-11(26)5-10-3-2-4-31-10/h2-4,13,16H,5-8H2,1H3,(H,19,27)(H,20,26)(H,29,30)