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

Systemtic Name: ethyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-butoxy-3-ethoxyphenyl)-1-oxopropyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-butoxy-3-ethoxyphenyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C30H43NO5S MolecularWeight: 529.73112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OCC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OCC)OCC

InChI

InChI=1S/C30H43NO5S/c1-7-10-17-36-23-15-11-20(18-24(23)34-8-2)12-16-26(32)31-28-27(29(33)35-9-3)22-14-13-21(30(4,5)6)19-25(22)37-28/h11,15,18,21H,7-10,12-14,16-17,19H2,1-6H3,(H,31,32)