ethyl (6R)-6-ethyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6R)-6-ethyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-6-ethyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-ethyl-2-[(1-oxo-3-phenylpropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-ethyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-ethyl-2-(hydrocinnamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3S/c1-3-15-10-12-17-18(14-15)27-21(20(17)22(25)26-4-2)23-19(24)13-11-16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3,(H,23,24)/t15-/m1/s1