2-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)ethyl thiophene-2-carboxylate

Systemtic Name: 2-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)ethyl thiophene-2-carboxylate Openeye Name: 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl ester IUPAC Name: 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 2-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)ethyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)CCOC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)CCOC(=O)C3=CC=CS3

InChI

InChI=1S/C17H16N2O3S/c1-12-14(9-10-22-17(21)15-8-5-11-23-15)16(20)19(18-12)13-6-3-2-4-7-13/h2-8,11,18H,9-10H2,1H3