sodium 3-[[(2Z)-2-(5-azanyl-5-chloranylsulfanyl-pyrrol-3-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-[[(2Z)-2-(5-azanyl-5-chloranylsulfanyl-pyrrol-3-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[[(2Z)-2-(5-amino-5-chlorosulfanyl-pyrrol-3-yl)-2-methoxyimino-acetyl]amino]-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[[(2Z)-2-[5-amino-5-(chlorothio)-3-pyrrolyl]-2-methoxyimino-1-oxoethyl]amino]-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[(2Z)-2-(5-amino-5-chlorosulfanylpyrrol-3-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[[(2Z)-2-[5-amino-5-(chlorothio)pyrrol-3-yl]-2-methyloximino-acetyl]amino]-2-keto-azetidine-1-sulfonate Formula: C10H11ClN5NaO6S2 MolecularWeight: 419.79701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CC(N=C1)(N)SCl)C(=O)NC2CN(C2=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CO/N=C(/C1=CC(N=C1)(N)SCl)\C(=O)NC2CN(C2=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H12ClN5O6S2.Na/c1-22-15-7(5-2-10(12,23-11)13-3-5)8(17)14-6-4-16(9(6)18)24(19,20)21;/h2-3,6H,4,12H2,1H3,(H,14,17)(H,19,20,21);/q;+1/p-1/b15-7-;