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

Systemtic Name: 3-[3-(4-methoxy-3-nitro-phenyl)-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(4-methoxy-3-nitro-phenyl)-4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(4-methoxy-3-nitrophenyl)-4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(4-methoxy-3-nitrophenyl)-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propionic acid Formula: C17H14N4O6S2 MolecularWeight: 434.44626

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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)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)S3)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O6S2/c1-27-12-3-2-9(6-11(12)21(25)26)15-10(7-13-16(24)18-17(28)29-13)8-20(19-15)5-4-14(22)23/h2-3,6-8H,4-5H2,1H3,(H,22,23)(H,18,24,28)