(2S)-2-[(5E)-5-[(1-ethylpyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[(5E)-5-[(1-ethylpyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenyl-propanoate Openeye Name: (2S)-2-[(5E)-5-[(1-ethylpyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-3-phenyl-propanoate CAS Name: (2S)-2-[(5E)-5-[(1-ethyl-4-pyrazolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-phenylpropanoate IUPAC Name: (2S)-2-[(5E)-5-[(1-ethylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoate Traditional Name: (2S)-2-[(5E)-5-[(1-ethylpyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]-3-phenyl-propionate Formula: C18H16N3O3S2- MolecularWeight: 386.46794

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C=C2C(=O)N(C(=S)S2)C(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C=N1)/C=C/2\C(=O)N(C(=S)S2)[C@@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C18H17N3O3S2/c1-2-20-11-13(10-19-20)9-15-16(22)21(18(25)26-15)14(17(23)24)8-12-6-4-3-5-7-12/h3-7,9-11,14H,2,8H2,1H3,(H,23,24)/p-1/b15-9+/t14-/m0/s1