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

Systemtic Name: ethyl 2-acetamido-6-[(cyclohexylamino)methyl]-7-oxidanyl-1-benzothiophene-3-carboxylate hydrochloride Openeye Name: ethyl 2-acetamido-6-[(cyclohexylamino)methyl]-7-hydroxy-benzothiophene-3-carboxylate hydrochloride CAS Name: 2-acetamido-6-[(cyclohexylamino)methyl]-7-hydroxy-1-benzothiophene-3-carboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-acetamido-6-[(cyclohexylamino)methyl]-7-hydroxy-1-benzothiophene-3-carboxylate hydrochloride Traditional Name: 2-acetamido-6-[(cyclohexylamino)methyl]-7-hydroxy-benzothiophene-3-carboxylic acid ethyl ester hydrochloride Formula: C20H27ClN2O4S MolecularWeight: 426.95738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)CNC3CCCCC3)NC(=O)C.Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)CNC3CCCCC3)NC(=O)C.Cl

InChI

InChI=1S/C20H26N2O4S.ClH/c1-3-26-20(25)16-15-10-9-13(11-21-14-7-5-4-6-8-14)17(24)18(15)27-19(16)22-12(2)23;/h9-10,14,21,24H,3-8,11H2,1-2H3,(H,22,23);1H