3-[3-(1-benzofuran-2-yl)-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(1-benzofuran-2-yl)-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(benzofuran-2-yl)-4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(2-benzofuranyl)-4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(1-benzofuran-2-yl)-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(benzofuran-2-yl)-4-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propionic acid Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C=C4C(=O)NC(=S)S4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C=C4C(=O)NC(=S)S4)CCC(=O)O

InChI

InChI=1S/C18H13N3O4S2/c22-15(23)5-6-21-9-11(8-14-17(24)19-18(26)27-14)16(20-21)13-7-10-3-1-2-4-12(10)25-13/h1-4,7-9H,5-6H2,(H,22,23)(H,19,24,26)