7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-3-[[2,6-bis(azanyl)-1-methyl-pyrimidin-1-ium-4-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-3-[[2,6-bis(azanyl)-1-methyl-pyrimidin-1-ium-4-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-acetyl]amino]-3-[(2,6-diamino-1-methyl-pyrimidin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-1-oxoethyl]amino]-3-[[(2,6-diamino-1-methyl-4-pyrimidin-1-iumyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-[(2,6-diamino-1-methylpyrimidin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyloximino-acetyl]amino]-3-[[(2,6-diamino-1-methyl-pyrimidin-1-ium-4-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C19H22N10O5S3 MolecularWeight: 566.63698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=CC(=[N+](C(=N4)N)C)N)C(=O)[O-]

Isomeric SMILES

CCO/N=C(\C1=NSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=CC(=[N+](C(=N4)N)C)N)C(=O)[O-]

InChI

InChI=1S/C19H22N10O5S3/c1-3-34-26-10(13-25-19(22)37-27-13)14(30)24-11-15(31)29-12(17(32)33)7(6-36-16(11)29)5-35-9-4-8(20)28(2)18(21)23-9/h4,11,16H,3,5-6H2,1-2H3,(H7,20,21,22,23,24,25,27,30,32,33)/b26-10+