(6R,7R)-3-[[3-azanylidene-2-(2-hydroxyethyl)pyrazol-1-yl]methyl]-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride

Systemtic Name: (6R,7R)-3-[[3-azanylidene-2-(2-hydroxyethyl)pyrazol-1-yl]methyl]-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride Openeye Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-acetyl]amino]-3-[[2-(2-hydroxyethyl)-3-imino-pyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride CAS Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-1-oxoethyl]amino]-3-[[2-(2-hydroxyethyl)-3-imino-1-pyrazolyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride IUPAC Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-[[2-(2-hydroxyethyl)-3-iminopyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride Traditional Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyloximino-acetyl]amino]-3-[[2-(2-hydroxyethyl)-3-imino-3-pyrazolin-1-yl]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride Formula: C19H24ClN9O6S2 MolecularWeight: 574.03356

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CN4C=CC(=N)N4CCO)C(=O)O.Cl

Isomeric SMILES

CCO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CN4C=CC(=N)N4CCO)C(=O)O.Cl

InChI

InChI=1S/C19H23N9O6S2.ClH/c1-2-34-24-11(14-23-19(21)36-25-14)15(30)22-12-16(31)28-13(18(32)33)9(8-35-17(12)28)7-26-4-3-10(20)27(26)5-6-29;/h3-4,12,17,20,29H,2,5-8H2,1H3,(H,22,30)(H,32,33)(H2,21,23,25);1H/b20-10?,24-11-;/t12-,17-;/m1./s1