3-[(5E)-4-oxidanylidene-5-[(3-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Systemtic Name: 3-[(5E)-4-oxidanylidene-5-[(3-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5E)-5-[(3-isopropoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5E)-4-oxo-5-[(3-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5E)-4-oxo-5-[(3-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5E)-5-(3-isopropoxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O

InChI

InChI=1S/C16H17NO4S2/c1-10(2)21-12-5-3-4-11(8-12)9-13-15(20)17(16(22)23-13)7-6-14(18)19/h3-5,8-10H,6-7H2,1-2H3,(H,18,19)/b13-9+