ethyl 6-(2-methylbutan-2-yl)-2-(2-naphthalen-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-(2-methylbutan-2-yl)-2-(2-naphthalen-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-(1,1-dimethylpropyl)-2-[[2-(1-naphthyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-(2-methylbutan-2-yl)-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-methylbutan-2-yl)-2-[(2-naphthalen-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-[[2-(1-naphthyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H33NO3S MolecularWeight: 463.63152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H33NO3S/c1-5-28(3,4)20-14-15-22-23(17-20)33-26(25(22)27(31)32-6-2)29-24(30)16-19-12-9-11-18-10-7-8-13-21(18)19/h7-13,20H,5-6,14-17H2,1-4H3,(H,29,30)