[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC2=C(S1)CCCC2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC2=C(S1)CCCC2

InChI

InChI=1S/C16H23NO3S/c1-11(2)7-8-17-15(18)10-20-16(19)14-9-12-5-3-4-6-13(12)21-14/h9,11H,3-8,10H2,1-2H3,(H,17,18)