4-[methyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[methyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[methyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amino]-4-oxo-butanoate CAS Name: 4-[methyl-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]-4-oxobutanoate IUPAC Name: 4-[methyl-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[methyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amino]butyrate Formula: C19H18N3O3S- MolecularWeight: 368.42952

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)C(=O)CCC(=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C19H19N3O3S/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/h2-8,11,13H,9-10,12H2,1H3,(H,24,25)/p-1