2-[(5E)-5-[(4-butoxy-3-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid

Systemtic Name: 2-[(5E)-5-[(4-butoxy-3-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Openeye Name: 2-[(5E)-5-[(4-butoxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: 2-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: 2-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: 2-[(5E)-5-(4-butoxy-3-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid Formula: C17H21NO6S3 MolecularWeight: 431.54674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCS(=O)(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCS(=O)(=O)O)OC

InChI

InChI=1S/C17H21NO6S3/c1-3-4-8-24-13-6-5-12(10-14(13)23-2)11-15-16(19)18(17(25)26-15)7-9-27(20,21)22/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,20,21,22)/b15-11+