ethyl 2-acetamido-6-[(dibutylamino)methyl]-7-oxidanyl-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-6-[(dibutylamino)methyl]-7-oxidanyl-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-[(dibutylamino)methyl]-7-hydroxy-benzothiophene-3-carboxylate CAS Name: 2-acetamido-6-[(dibutylamino)methyl]-7-hydroxy-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-6-[(dibutylamino)methyl]-7-hydroxy-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-[(dibutylamino)methyl]-7-hydroxy-benzothiophene-3-carboxylic acid ethyl ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC1=C(C2=C(C=C1)C(=C(S2)NC(=O)C)C(=O)OCC)O

Isomeric SMILES

CCCCN(CCCC)CC1=C(C2=C(C=C1)C(=C(S2)NC(=O)C)C(=O)OCC)O

InChI

InChI=1S/C22H32N2O4S/c1-5-8-12-24(13-9-6-2)14-16-10-11-17-18(22(27)28-7-3)21(23-15(4)25)29-20(17)19(16)26/h10-11,26H,5-9,12-14H2,1-4H3,(H,23,25)