sodium (2E,4S)-4-methyl-2-(3-octoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidine-4-carboxylate

Systemtic Name: sodium (2E,4S)-4-methyl-2-(3-octoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidine-4-carboxylate Openeye Name: sodium (2E,4S)-4-methyl-2-(3-octoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)thiazolidine-4-carboxylate CAS Name: sodium (2E,4S)-4-methyl-2-(3-octoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-4-thiazolidinecarboxylate IUPAC Name: sodium (2E,4S)-4-methyl-2-(3-octoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidine-4-carboxylate Traditional Name: sodium (2E,4S)-2-(6-keto-3-octoxy-cyclohexa-2,4-dien-1-ylidene)-4-methyl-thiazolidine-4-carboxylate Formula: C19H26NNaO4S MolecularWeight: 387.46881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C2NC(CS2)(C)C(=O)[O-])C(=O)C=C1.[Na+]

Isomeric SMILES

CCCCCCCCOC1=C/C(=C\2/N[C@@](CS2)(C)C(=O)[O-])/C(=O)C=C1.[Na+]

InChI

InChI=1S/C19H27NO4S.Na/c1-3-4-5-6-7-8-11-24-14-9-10-16(21)15(12-14)17-20-19(2,13-25-17)18(22)23;/h9-10,12,20H,3-8,11,13H2,1-2H3,(H,22,23);/q;+1/p-1/b17-15+;/t19-;/m1./s1