(6S)-2-[[(2S)-2-ethylhexanoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-2-[[(2S)-2-ethylhexanoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-[[(2S)-2-ethylhexanoyl]amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[[(2S)-2-ethyl-1-oxohexyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-[[(2S)-2-ethylhexanoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-[[(2S)-2-ethylhexanoyl]amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H32N2O2S MolecularWeight: 364.54528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)CCC)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O2S/c1-4-7-9-14(6-3)19(24)22-20-17(18(21)23)15-11-10-13(8-5-2)12-16(15)25-20/h13-14H,4-12H2,1-3H3,(H2,21,23)(H,22,24)/t13-,14-/m0/s1