ethyl 2-[[2-(2-dimethylaminoethylamino)-2-phenyl-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(2-dimethylaminoethylamino)-2-phenyl-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-dimethylaminoethylamino)-2-phenyl-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-dimethylaminoethylamino)-1-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-dimethylaminoethylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-dimethylaminoethylamino)-2-phenyl-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)NCCN(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)NCCN(C)C

InChI

InChI=1S/C23H31N3O3S/c1-4-29-23(28)19-17-12-8-9-13-18(17)30-22(19)25-21(27)20(24-14-15-26(2)3)16-10-6-5-7-11-16/h5-7,10-11,20,24H,4,8-9,12-15H2,1-3H3,(H,25,27)