2-[(5E)-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid

Systemtic Name: 2-[(5E)-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[(5E)-5-[(1-butylindolin-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[(5E)-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[(5E)-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[(5E)-5-[(1-butylindolin-5-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C1C=CC(=C2)C=C3C(=O)N(C(=S)S3)CC(=O)O

Isomeric SMILES

CCCCN1CCC2=C1C=CC(=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O

InChI

InChI=1S/C18H20N2O3S2/c1-2-3-7-19-8-6-13-9-12(4-5-14(13)19)10-15-17(23)20(11-16(21)22)18(24)25-15/h4-5,9-10H,2-3,6-8,11H2,1H3,(H,21,22)/b15-10+