ethyl (6R)-6-tert-butyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6R)-6-tert-butyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-6-tert-butyl-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-tert-butyl-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-tert-butyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-tert-butyl-2-[[(E)-3-(2-thienyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H27NO3S2 MolecularWeight: 417.58468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C(C)(C)C)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C22H27NO3S2/c1-5-26-21(25)19-16-10-8-14(22(2,3)4)13-17(16)28-20(19)23-18(24)11-9-15-7-6-12-27-15/h6-7,9,11-12,14H,5,8,10,13H2,1-4H3,(H,23,24)/b11-9+/t14-/m1/s1