2-methoxyethyl (2E)-3-oxidanylidene-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]butanoate

Systemtic Name: 2-methoxyethyl (2E)-3-oxidanylidene-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]butanoate Openeye Name: 2-methoxyethyl (2E)-3-oxo-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]butanoate CAS Name: (2E)-3-oxo-2-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (2E)-3-oxo-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]butanoate Traditional Name: (E)-2-acetyl-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid 2-methoxyethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C(=C\C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)/C(=O)OCCOC

InChI

InChI=1S/C21H20N2O4S/c1-15(24)18(21(25)27-11-10-26-2)13-16-14-23(17-7-4-3-5-8-17)22-20(16)19-9-6-12-28-19/h3-9,12-14H,10-11H2,1-2H3/b18-13+