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

Systemtic Name: ethyl 2-benzamido-6-[(cyclohexylamino)methyl]-7-oxidanyl-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-benzamido-6-[(cyclohexylamino)methyl]-7-hydroxy-benzothiophene-3-carboxylate CAS Name: 2-benzamido-6-[(cyclohexylamino)methyl]-7-hydroxy-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzamido-6-[(cyclohexylamino)methyl]-7-hydroxy-1-benzothiophene-3-carboxylate Traditional Name: 2-benzamido-6-[(cyclohexylamino)methyl]-7-hydroxy-benzothiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)CNC3CCCCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)CNC3CCCCC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4S/c1-2-31-25(30)20-19-14-13-17(15-26-18-11-7-4-8-12-18)21(28)22(19)32-24(20)27-23(29)16-9-5-3-6-10-16/h3,5-6,9-10,13-14,18,26,28H,2,4,7-8,11-12,15H2,1H3,(H,27,29)