sodium 3-[[(2Z)-2-(4-methylphenyl)sulfanylimino-2-phenyl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-[[(2Z)-2-(4-methylphenyl)sulfanylimino-2-phenyl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 2-oxo-3-[[(2Z)-2-phenyl-2-(p-tolylsulfanylimino)acetyl]amino]azetidine-1-sulfonate CAS Name: sodium 3-[[(2Z)-2-[(4-methylphenyl)thio]imino-1-oxo-2-phenylethyl]amino]-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[(2Z)-2-(4-methylphenyl)sulfanylimino-2-phenylacetyl]amino]-2-oxoazetidine-1-sulfonate Traditional Name: sodium 2-keto-3-[[(2Z)-2-phenyl-2-(p-tolylthio)imino-acetyl]amino]azetidine-1-sulfonate Formula: C18H16N3NaO5S2 MolecularWeight: 441.45651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SN=C(C2=CC=CC=C2)C(=O)NC3CN(C3=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S/N=C(/C2=CC=CC=C2)\C(=O)NC3CN(C3=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H17N3O5S2.Na/c1-12-7-9-14(10-8-12)27-20-16(13-5-3-2-4-6-13)17(22)19-15-11-21(18(15)23)28(24,25)26;/h2-10,15H,11H2,1H3,(H,19,22)(H,24,25,26);/q;+1/p-1/b20-16-;