[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C19H18FN3O3S MolecularWeight: 387.427923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C19H18FN3O3S/c20-13-5-6-15-12(9-13)10-16(27-15)19(25)26-11-18(24)22-17-7-8-21-23(17)14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,22,24)