methyl 2-[(4E)-5-oxidanylidene-1-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(4E)-5-oxidanylidene-1-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4E)-5-oxo-1-phenyl-4-(2-thienylmethylene)pyrazol-3-yl]acetate CAS Name: 2-[(4E)-5-oxo-1-phenyl-4-(thiophen-2-ylmethylidene)-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4E)-5-oxo-1-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-yl]acetate Traditional Name: 2-[(4E)-5-keto-1-phenyl-4-(2-thenylidene)-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN(C(=O)C1=CC2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CC\1=NN(C(=O)/C1=C/C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O3S/c1-22-16(20)11-15-14(10-13-8-5-9-23-13)17(21)19(18-15)12-6-3-2-4-7-12/h2-10H,11H2,1H3/b14-10+