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

Systemtic Name: 3-[[1-(2-azanyl-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-3-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[1-(2-amino-2-oxo-ethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-7-[[2-(3-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[[1-(2-amino-2-oxoethyl)-5-tetrazolyl]thio]methyl]-8-oxo-7-[[1-oxo-2-(3-thiophenyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[1-(2-amino-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-7-[(2-thiophen-3-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[[1-(2-amino-2-keto-ethyl)tetrazol-5-yl]thio]methyl]-8-keto-7-[[2-(3-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H17N7O5S3 MolecularWeight: 495.55578

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CSC=C3)C(=O)O)CSC4=NN=NN4CC(=O)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CSC=C3)C(=O)O)CSC4=NN=NN4CC(=O)N

InChI

InChI=1S/C17H17N7O5S3/c18-10(25)4-23-17(20-21-22-23)32-7-9-6-31-15-12(14(27)24(15)13(9)16(28)29)19-11(26)3-8-1-2-30-5-8/h1-2,5,12,15H,3-4,6-7H2,(H2,18,25)(H,19,26)(H,28,29)