6-azanylhexyl 4-ethyl-5-[2-(hydroxymethyl)phenyl]-3-(3-oxidanylidenepropyl)thiophene-2-carboxylate

Systemtic Name: 6-azanylhexyl 4-ethyl-5-[2-(hydroxymethyl)phenyl]-3-(3-oxidanylidenepropyl)thiophene-2-carboxylate Openeye Name: 6-aminohexyl 4-ethyl-5-[2-(hydroxymethyl)phenyl]-3-(3-oxopropyl)thiophene-2-carboxylate CAS Name: 4-ethyl-5-[2-(hydroxymethyl)phenyl]-3-(3-oxopropyl)-2-thiophenecarboxylic acid 6-aminohexyl ester IUPAC Name: 6-aminohexyl 4-ethyl-5-[2-(hydroxymethyl)phenyl]-3-(3-oxopropyl)thiophene-2-carboxylate Traditional Name: 4-ethyl-3-(3-ketopropyl)-5-(2-methylolphenyl)thiophene-2-carboxylic acid 6-aminohexyl ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1CCC=O)C(=O)OCCCCCCN)C2=CC=CC=C2CO

Isomeric SMILES

CCC1=C(SC(=C1CCC=O)C(=O)OCCCCCCN)C2=CC=CC=C2CO

InChI

InChI=1S/C23H31NO4S/c1-2-18-20(12-9-14-25)22(23(27)28-15-8-4-3-7-13-24)29-21(18)19-11-6-5-10-17(19)16-26/h5-6,10-11,14,26H,2-4,7-9,12-13,15-16,24H2,1H3