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

Systemtic Name: sodium (2E,4S)-2-(3,4-dioctoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1,3-thiazolidine-4-carboxylate Openeye Name: sodium (2E,4S)-2-(3,4-dioctoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-4-methyl-thiazolidine-4-carboxylate CAS Name: sodium (2E,4S)-2-(3,4-dioctoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-4-methyl-4-thiazolidinecarboxylate IUPAC Name: sodium (2E,4S)-2-(3,4-dioctoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1,3-thiazolidine-4-carboxylate Traditional Name: sodium (2E,4S)-2-(6-keto-3,4-dioctoxy-cyclohexa-2,4-dien-1-ylidene)-4-methyl-thiazolidine-4-carboxylate Formula: C27H42NNaO5S MolecularWeight: 515.68085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C2NC(CS2)(C)C(=O)[O-])C(=O)C=C1OCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCOC1=C/C(=C\2/N[C@@](CS2)(C)C(=O)[O-])/C(=O)C=C1OCCCCCCCC.[Na+]

InChI

InChI=1S/C27H43NO5S.Na/c1-4-6-8-10-12-14-16-32-23-18-21(25-28-27(3,20-34-25)26(30)31)22(29)19-24(23)33-17-15-13-11-9-7-5-2;/h18-19,28H,4-17,20H2,1-3H3,(H,30,31);/q;+1/p-1/b25-21+;/t27-;/m1./s1