3-[(5Z)-5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Systemtic Name: 3-[(5Z)-5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5Z)-5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5Z)-5-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5Z)-5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5Z)-5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=C3C(=O)N(C(=S)S3)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)O

InChI

InChI=1S/C18H17N3O3S2/c1-11-14(12(2)21(19-11)13-6-4-3-5-7-13)10-15-17(24)20(18(25)26-15)9-8-16(22)23/h3-7,10H,8-9H2,1-2H3,(H,22,23)/b15-10-