(E)-4-[methyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[methyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[methyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[methyl-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[methyl-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[methyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amino]but-2-enoic acid Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)C(=O)C=CC(=O)O

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C19H17N3O3S/c1-21(17(23)9-10-18(24)25)12-14-13-22(15-6-3-2-4-7-15)20-19(14)16-8-5-11-26-16/h2-11,13H,12H2,1H3,(H,24,25)/b10-9+