ethyl 6-methyl-2-[2-(3-phenylpropanoyloxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[2-(3-phenylpropanoyloxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-(3-phenylpropanoyloxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-(1-oxo-3-phenylpropoxy)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[[2-(3-phenylpropanoyloxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-hydrocinnamoyloxyacetyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H27NO5S/c1-3-28-23(27)21-17-11-9-15(2)13-18(17)30-22(21)24-19(25)14-29-20(26)12-10-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,24,25)