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

Systemtic Name: methyl 6-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[3-(3,4-dimethoxyphenyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H33NO5S MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H33NO5S/c1-25(2,3)16-9-10-17-20(14-16)32-23(22(17)24(28)31-6)26-21(27)12-8-15-7-11-18(29-4)19(13-15)30-5/h7,11,13,16H,8-10,12,14H2,1-6H3,(H,26,27)