ethyl 5-[2-(1,3-benzodioxol-5-yl)-3-(1-benzothiophen-2-ylmethylamino)butyl]furan-2-carboxylate

Systemtic Name: ethyl 5-[2-(1,3-benzodioxol-5-yl)-3-(1-benzothiophen-2-ylmethylamino)butyl]furan-2-carboxylate Openeye Name: ethyl 5-[2-(1,3-benzodioxol-5-yl)-3-(benzothiophen-2-ylmethylamino)butyl]furan-2-carboxylate CAS Name: 5-[2-(1,3-benzodioxol-5-yl)-3-(1-benzothiophen-2-ylmethylamino)butyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(1,3-benzodioxol-5-yl)-3-(1-benzothiophen-2-ylmethylamino)butyl]furan-2-carboxylate Traditional Name: 5-[2-(1,3-benzodioxol-5-yl)-3-(benzothiophen-2-ylmethylamino)butyl]furan-2-carboxylic acid ethyl ester Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CC(C2=CC3=C(C=C2)OCO3)C(C)NCC4=CC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CC(C2=CC3=C(C=C2)OCO3)C(C)NCC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C27H27NO5S/c1-3-30-27(29)24-11-9-20(33-24)14-22(18-8-10-23-25(13-18)32-16-31-23)17(2)28-15-21-12-19-6-4-5-7-26(19)34-21/h4-13,17,22,28H,3,14-16H2,1-2H3