11-[(5Z)-5-[(8-methoxy-2H-chromen-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Systemtic Name: 11-[(5Z)-5-[(8-methoxy-2H-chromen-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Openeye Name: 11-[(5Z)-5-[(8-methoxy-2H-chromen-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoic acid CAS Name: 11-[(5Z)-5-[(8-methoxy-2H-1-benzopyran-3-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]undecanoic acid IUPAC Name: 11-[(5Z)-5-[(8-methoxy-2H-chromen-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Traditional Name: 11-[(5Z)-4-keto-5-[(8-methoxy-2H-chromen-3-yl)methylene]-2-thioxo-thiazolidin-3-yl]undecanoic acid Formula: C25H31NO5S2 MolecularWeight: 489.64734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(=C2)C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O

Isomeric SMILES

COC1=CC=CC2=C1OCC(=C2)/C=C\3/C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C25H31NO5S2/c1-30-20-12-10-11-19-15-18(17-31-23(19)20)16-21-24(29)26(25(32)33-21)14-9-7-5-3-2-4-6-8-13-22(27)28/h10-12,15-16H,2-9,13-14,17H2,1H3,(H,27,28)/b21-16-