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

Systemtic Name: ethyl 2-[(2-cyclohexyl-2-phenyl-ethanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-cyclohexyl-2-phenyl-acetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-cyclohexyl-1-oxo-2-phenylethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-cyclohexyl-2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-cyclohexyl-2-phenyl-acetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H31NO3S/c1-2-29-25(28)22-19-15-9-10-16-20(19)30-24(22)26-23(27)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3,5-6,11-12,18,21H,2,4,7-10,13-16H2,1H3,(H,26,27)