ethyl 6-tert-butyl-2-[3-(4-ethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[3-(4-ethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[3-(4-ethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[3-(4-ethoxyphenyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[3-(4-ethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-(3-p-phenetylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H35NO4S MolecularWeight: 457.6254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C26H35NO4S/c1-6-30-19-12-8-17(9-13-19)10-15-22(28)27-24-23(25(29)31-7-2)20-14-11-18(26(3,4)5)16-21(20)32-24/h8-9,12-13,18H,6-7,10-11,14-16H2,1-5H3,(H,27,28)