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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CSC2=C1CCCC2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CSC2=C1CCCC2

InChI

InChI=1S/C16H23NO3S/c1-3-11(4-2)17-15(18)9-20-16(19)13-10-21-14-8-6-5-7-12(13)14/h10-11H,3-9H2,1-2H3,(H,17,18)