ethyl 2-benzamido-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-benzamido-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-benzamido-7-hydroxy-6-[(4-methylpiperazin-4-ium-1-yl)methyl]benzothiophene-3-carboxylate CAS Name: 2-benzamido-7-hydroxy-6-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzamido-7-hydroxy-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzothiophene-3-carboxylate Traditional Name: 2-benzamido-7-hydroxy-6-[(4-methylpiperazin-4-ium-1-yl)methyl]benzothiophene-3-carboxylic acid ethyl ester Formula: C24H28N3O4S+ MolecularWeight: 454.56182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)CN3CC[NH+](CC3)C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)CN3CC[NH+](CC3)C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4S/c1-3-31-24(30)19-18-10-9-17(15-27-13-11-26(2)12-14-27)20(28)21(18)32-23(19)25-22(29)16-7-5-4-6-8-16/h4-10,28H,3,11-15H2,1-2H3,(H,25,29)/p+1