ethyl 6-ethyl-2-(hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-ethyl-2-(hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-ethyl-2-(hexanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-(1-oxohexylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-(hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(caproylamino)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H29NO3S MolecularWeight: 351.50346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)CC)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)CC)C(=O)OCC

InChI

InChI=1S/C19H29NO3S/c1-4-7-8-9-16(21)20-18-17(19(22)23-6-3)14-11-10-13(5-2)12-15(14)24-18/h13H,4-12H2,1-3H3,(H,20,21)