4-[(4E)-3-aminocarbonyl-4-[[5-(dimethylamino)thiophen-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-3-aminocarbonyl-4-[[5-(dimethylamino)thiophen-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-3-carbamoyl-4-[[5-(dimethylamino)-2-thienyl]methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-3-carbamoyl-4-[[5-(dimethylamino)-2-thiophenyl]methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-3-carbamoyl-4-[[5-(dimethylamino)thiophen-2-yl]methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-3-carbamoyl-4-[[5-(dimethylamino)-2-thienyl]methylene]-5-keto-2-pyrazolin-1-yl]benzoic acid Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(S1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CN(C)C1=CC=C(S1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C18H16N4O4S/c1-21(2)14-8-7-12(27-14)9-13-15(16(19)23)20-22(17(13)24)11-5-3-10(4-6-11)18(25)26/h3-9H,1-2H3,(H2,19,23)(H,25,26)/b13-9+