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

Systemtic Name: 3-[3-(3,4-dimethoxyphenyl)-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(3,4-dimethoxyphenyl)-4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(3,4-dimethoxyphenyl)-4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(3,4-dimethoxyphenyl)-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(3,4-dimethoxyphenyl)-4-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propionic acid Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)S3)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)S3)CCC(=O)O)OC

InChI

InChI=1S/C18H17N3O5S2/c1-25-12-4-3-10(7-13(12)26-2)16-11(8-14-17(24)19-18(27)28-14)9-21(20-16)6-5-15(22)23/h3-4,7-9H,5-6H2,1-2H3,(H,22,23)(H,19,24,27)