[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C18H21NO3S2 MolecularWeight: 363.49424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OC(C)C(=O)NCC3=CC=CS3

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)O[C@H](C)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H21NO3S2/c1-11-5-6-15-13(8-11)9-16(24-15)18(21)22-12(2)17(20)19-10-14-4-3-7-23-14/h3-4,7,9,11-12H,5-6,8,10H2,1-2H3,(H,19,20)/t11-,12+/m0/s1