[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate CAS Name: 5-(4-fluorophenyl)-2-thiophenecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate Traditional Name: 5-(4-fluorophenyl)thiophene-2-carboxylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C17H18FNO3S MolecularWeight: 335.393123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC=C(S1)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=CC=C(S1)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H18FNO3S/c1-3-11(2)19-16(20)10-22-17(21)15-9-8-14(23-15)12-4-6-13(18)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,19,20)