3-[5-[[3-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Systemtic Name: 3-[5-[[3-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-[[3-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethoxy]phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-[[3-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-[[3-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[5-[3-[2-(3-chloro-4-methyl-anilino)-2-keto-ethoxy]benzylidene]-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C22H19ClN2O5S2 MolecularWeight: 490.97966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC(=C2)C=C3C(=O)N(C(=S)S3)CCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC(=C2)C=C3C(=O)N(C(=S)S3)CCC(=O)O)Cl

InChI

InChI=1S/C22H19ClN2O5S2/c1-13-5-6-15(11-17(13)23)24-19(26)12-30-16-4-2-3-14(9-16)10-18-21(29)25(22(31)32-18)8-7-20(27)28/h2-6,9-11H,7-8,12H2,1H3,(H,24,26)(H,27,28)