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

Systemtic Name: methyl 6-ethyl-2-(octanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-ethyl-2-(octanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-(1-oxooctylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-ethyl-2-(octanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(caprylylamino)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)CC)C(=O)OC

Isomeric SMILES

CCCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)CC)C(=O)OC

InChI

InChI=1S/C20H31NO3S/c1-4-6-7-8-9-10-17(22)21-19-18(20(23)24-3)15-12-11-14(5-2)13-16(15)25-19/h14H,4-13H2,1-3H3,(H,21,22)