[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C16H18FNO3S MolecularWeight: 323.382423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC2=C(C=CC=C2S1)F

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC2=C(C=CC=C2S1)F

InChI

InChI=1S/C16H18FNO3S/c1-10(2)6-7-18-15(19)9-21-16(20)14-8-11-12(17)4-3-5-13(11)22-14/h3-5,8,10H,6-7,9H2,1-2H3,(H,18,19)