methyl 6-[[(E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyl]amino]hexanoate

Systemtic Name: methyl 6-[[(E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyl]amino]hexanoate Openeye Name: methyl 6-[[(E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoyl]amino]hexanoate CAS Name: 6-[[(E)-1-oxo-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)prop-2-enyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]amino]hexanoate Traditional Name: 6-[[(E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]amino]hexanoic acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)CCCCCNC(=O)/C=C/C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3S/c1-29-22(28)12-6-3-7-15-24-21(27)14-13-18-17-26(19-9-4-2-5-10-19)25-23(18)20-11-8-16-30-20/h2,4-5,8-11,13-14,16-17H,3,6-7,12,15H2,1H3,(H,24,27)/b14-13+