ethyl (6S)-6-ethyl-2-(2-phenylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6S)-6-ethyl-2-(2-phenylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-6-ethyl-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-ethyl-2-[(1-oxo-2-phenylethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-ethyl-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-ethyl-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25NO3S/c1-3-14-10-11-16-17(12-14)26-20(19(16)21(24)25-4-2)22-18(23)13-15-8-6-5-7-9-15/h5-9,14H,3-4,10-13H2,1-2H3,(H,22,23)/t14-/m0/s1