methyl 6-tert-butyl-2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-tert-butyl-2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[(2-ethyl-1-oxohexyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H35NO3S MolecularWeight: 393.5832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO3S/c1-7-9-10-14(8-2)19(24)23-20-18(21(25)26-6)16-12-11-15(22(3,4)5)13-17(16)27-20/h14-15H,7-13H2,1-6H3,(H,23,24)