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

Systemtic Name: ethyl 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4,5,6,7-tetrahydro-3H-1-benzothiophene-2-carboxylate Openeye Name: ethyl 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-4,5,6,7-tetrahydro-3H-benzothiophene-2-carboxylate CAS Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-4,5,6,7-tetrahydro-3H-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]-4,5,6,7-tetrahydro-3H-1-benzothiophene-2-carboxylate Traditional Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-4,5,6,7-tetrahydro-3H-benzothiophene-2-carboxylic acid ethyl ester Formula: C18H31NO4S MolecularWeight: 357.50804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=C(S1)CCCC2)OCC(CNC(C)(C)C)O

Isomeric SMILES

CCOC(=O)C1(CC2=C(S1)CCCC2)OCC(CNC(C)(C)C)O

InChI

InChI=1S/C18H31NO4S/c1-5-22-16(21)18(10-13-8-6-7-9-15(13)24-18)23-12-14(20)11-19-17(2,3)4/h14,19-20H,5-12H2,1-4H3