(6S)-3-[4-azanyl-4-oxidanylidene-1-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)butyl]-7-(2-methylsulfanylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6S)-3-[4-azanyl-4-oxidanylidene-1-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)butyl]-7-(2-methylsulfanylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6S)-3-[4-amino-4-oxo-1-(2H-tetrazol-5-ylsulfanyl)butyl]-7-[(2-methylsulfanylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6S)-3-[4-amino-4-oxo-1-(2H-tetrazol-5-ylthio)butyl]-7-[[2-(methylthio)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6S)-3-[4-amino-4-oxo-1-(2H-tetrazol-5-ylsulfanyl)butyl]-7-[(2-methylsulfanylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6S)-3-[4-amino-4-keto-1-(2H-tetrazol-5-ylthio)butyl]-8-keto-7-[[2-(methylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H19N7O5S3 MolecularWeight: 473.55026

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NC1C2N(C1=O)C(=C(CS2)C(CCC(=O)N)SC3=NNN=N3)C(=O)O

Isomeric SMILES

CSCC(=O)NC1[C@H]2N(C1=O)C(=C(CS2)C(CCC(=O)N)SC3=NNN=N3)C(=O)O

InChI

InChI=1S/C15H19N7O5S3/c1-28-5-9(24)17-10-12(25)22-11(14(26)27)6(4-29-13(10)22)7(2-3-8(16)23)30-15-18-20-21-19-15/h7,10,13H,2-5H2,1H3,(H2,16,23)(H,17,24)(H,26,27)(H,18,19,20,21)/t7?,10?,13-/m0/s1