ethyl 3-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[3-(tert-butylamino)-2-hydroxy-propoxy]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 3-[3-(tert-butylamino)-2-hydroxypropoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(tert-butylamino)-2-hydroxypropoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 3-[3-(tert-butylamino)-2-hydroxy-propoxy]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid ethyl ester Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CCCC2)OCC(CNC(C)(C)C)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)CCCC2)OCC(CNC(C)(C)C)O

InChI

InChI=1S/C18H29NO4S/c1-5-22-17(21)16-15(13-8-6-7-9-14(13)24-16)23-11-12(20)10-19-18(2,3)4/h12,19-20H,5-11H2,1-4H3