methyl (6R)-6-ethyl-2-[[(2S)-2-ethylhexanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-6-ethyl-2-[[(2S)-2-ethylhexanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-6-ethyl-2-[[(2S)-2-ethylhexanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-ethyl-2-[[(2S)-2-ethyl-1-oxohexyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-ethyl-2-[[(2S)-2-ethylhexanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-ethyl-2-[[(2S)-2-ethylhexanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H31NO3S MolecularWeight: 365.53004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=C(C2=C(S1)C[C@@H](CC2)CC)C(=O)OC

InChI

InChI=1S/C20H31NO3S/c1-5-8-9-14(7-3)18(22)21-19-17(20(23)24-4)15-11-10-13(6-2)12-16(15)25-19/h13-14H,5-12H2,1-4H3,(H,21,22)/t13-,14+/m1/s1