3-[5-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Systemtic Name: 3-[5-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[5-[4-(2-chlorobenzyl)oxy-3-methoxy-benzylidene]-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C21H18ClNO5S2 MolecularWeight: 463.95432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)O)OCC3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)O)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H18ClNO5S2/c1-27-17-10-13(6-7-16(17)28-12-14-4-2-3-5-15(14)22)11-18-20(26)23(21(29)30-18)9-8-19(24)25/h2-7,10-11H,8-9,12H2,1H3,(H,24,25)