(6R,7R)-7-[[(2Z)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[3-[2-(methylazaniumyl)ethoxymethyl]pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[3-[2-(methylazaniumyl)ethoxymethyl]pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-thiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-[[3-[2-(methylammonio)ethoxymethyl]-4-pyridyl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-[[3-[2-(methylammonio)ethoxymethyl]-4-pyridinyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[3-[2-(methylazaniumyl)ethoxymethyl]pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-thiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-3-[[3-[2-(methylammonio)ethoxymethyl]-4-pyridyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H22ClN7O6S3 MolecularWeight: 600.09068

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCOCC1=C(C=CN=C1)SC2=C(N3C(C(C3=O)NC(=O)C(=NO)C4=C(SC(=N4)N)Cl)SC2)C(=O)[O-]

Isomeric SMILES

C[NH2+]CCOCC1=C(C=CN=C1)SC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\O)/C4=C(SC(=N4)N)Cl)SC2)C(=O)[O-]

InChI

InChI=1S/C21H22ClN7O6S3/c1-24-4-5-35-7-9-6-25-3-2-10(9)37-11-8-36-19-14(18(31)29(19)15(11)20(32)33)26-17(30)13(28-34)12-16(22)38-21(23)27-12/h2-3,6,14,19,24,34H,4-5,7-8H2,1H3,(H2,23,27)(H,26,30)(H,32,33)/b28-13-/t14-,19-/m1/s1