3-(1,3-benzodioxol-5-yl)-N-(1-benzothiophen-2-ylmethyl)-5,5-diethoxy-pentan-2-amine

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(1-benzothiophen-2-ylmethyl)-5,5-diethoxy-pentan-2-amine Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(benzothiophen-2-ylmethyl)-5,5-diethoxy-pentan-2-amine CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(1-benzothiophen-2-ylmethyl)-5,5-diethoxy-2-pentanamine IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(1-benzothiophen-2-ylmethyl)-5,5-diethoxypentan-2-amine Traditional Name: [2-(1,3-benzodioxol-5-yl)-4,4-diethoxy-1-methyl-butyl]-(benzothiophen-2-ylmethyl)amine Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(C1=CC2=C(C=C1)OCO2)C(C)NCC3=CC4=CC=CC=C4S3)OCC

Isomeric SMILES

CCOC(CC(C1=CC2=C(C=C1)OCO2)C(C)NCC3=CC4=CC=CC=C4S3)OCC

InChI

InChI=1S/C25H31NO4S/c1-4-27-25(28-5-2)14-21(18-10-11-22-23(13-18)30-16-29-22)17(3)26-15-20-12-19-8-6-7-9-24(19)31-20/h6-13,17,21,25-26H,4-5,14-16H2,1-3H3