ethyl 2-[2-[4-(hydroxymethyl)phenyl]carbonyloxyethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(hydroxymethyl)phenyl]carbonyloxyethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[4-(hydroxymethyl)phenyl]-oxomethoxy]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[2-(4-methylolbenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6S/c1-3-28-22(27)19-16-9-4-13(2)10-17(16)30-20(19)23-18(25)12-29-21(26)15-7-5-14(11-24)6-8-15/h5-8,13,24H,3-4,9-12H2,1-2H3,(H,23,25)