2-[5-[[5-(4-butoxycarbonylphenyl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[5-(4-butoxycarbonylphenyl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[5-(4-butoxycarbonylphenyl)-2-furyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[5-[[5-[4-[butoxy(oxo)methyl]phenyl]-2-furanyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[5-[[5-(4-butoxycarbonylphenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[5-[[5-(4-butoxycarbonylphenyl)-2-furyl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C21H19NO6S2 MolecularWeight: 445.50866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CC(=O)O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CC(=O)O

InChI

InChI=1S/C21H19NO6S2/c1-2-3-10-27-20(26)14-6-4-13(5-7-14)16-9-8-15(28-16)11-17-19(25)22(12-18(23)24)21(29)30-17/h4-9,11H,2-3,10,12H2,1H3,(H,23,24)