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

Systemtic Name: ethyl 3-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[2-hydroxy-3-(isopropylamino)propoxy]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 3-[2-hydroxy-3-(isopropylamino)propoxy]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid ethyl ester Formula: C17H27NO4S MolecularWeight: 341.46558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4S/c1-4-21-17(20)16-15(13-7-5-6-8-14(13)23-16)22-10-12(19)9-18-11(2)3/h11-12,18-19H,4-10H2,1-3H3