sodium 4-[(E)-3-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-3-oxidanylidene-prop-1-enyl]phenolate

Systemtic Name: sodium 4-[(E)-3-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-3-oxidanylidene-prop-1-enyl]phenolate Openeye Name: sodium 4-[(E)-3-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-3-oxo-prop-1-enyl]phenolate CAS Name: sodium 4-[(E)-3-[[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]thio]-3-oxoprop-1-enyl]phenolate IUPAC Name: sodium 4-[(E)-3-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-3-oxoprop-1-enyl]phenolate Traditional Name: sodium 4-[(E)-3-keto-3-[[2-(pivaloylamino)phenyl]thio]prop-1-enyl]phenolate Formula: C20H20NNaO3S MolecularWeight: 377.43247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC=C1SC(=O)C=CC2=CC=C(C=C2)[O-].[Na+]

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC=C1SC(=O)/C=C/C2=CC=C(C=C2)[O-].[Na+]

InChI

InChI=1S/C20H21NO3S.Na/c1-20(2,3)19(24)21-16-6-4-5-7-17(16)25-18(23)13-10-14-8-11-15(22)12-9-14;/h4-13,22H,1-3H3,(H,21,24);/q;+1/p-1/b13-10+;