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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCCC

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCCC

InChI

InChI=1S/C20H31NO3S/c1-4-7-10-14(6-3)18(22)21-19-17(20(23)24-13-5-2)15-11-8-9-12-16(15)25-19/h14H,4-13H2,1-3H3,(H,21,22)/t14-/m0/s1