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

Systemtic Name: methyl 3-oxidanyl-2-[[(E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyl]amino]propanoate Openeye Name: methyl 3-hydroxy-2-[[(E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoyl]amino]propanoate CAS Name: 3-hydroxy-2-[[(E)-1-oxo-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)prop-2-enyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[(E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]amino]propionic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-27-20(26)16(13-24)21-18(25)10-9-14-12-23(15-6-3-2-4-7-15)22-19(14)17-8-5-11-28-17/h2-12,16,24H,13H2,1H3,(H,21,25)/b10-9+