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

Systemtic Name: methyl 4-[[(E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyl]amino]butanoate Openeye Name: methyl 4-[[(E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoyl]amino]butanoate CAS Name: 4-[[(E)-1-oxo-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)prop-2-enyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]amino]butyric acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-27-20(26)10-5-13-22-19(25)12-11-16-15-24(17-7-3-2-4-8-17)23-21(16)18-9-6-14-28-18/h2-4,6-9,11-12,14-15H,5,10,13H2,1H3,(H,22,25)/b12-11+