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

Systemtic Name: ethyl 2-acetamido-6-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-7-hydroxy-6-[(4-methylpiperazin-1-yl)methyl]benzothiophene-3-carboxylate CAS Name: 2-acetamido-7-hydroxy-6-[(4-methyl-1-piperazinyl)methyl]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-7-hydroxy-6-[(4-methylpiperazin-1-yl)methyl]-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-7-hydroxy-6-[(4-methylpiperazino)methyl]benzothiophene-3-carboxylic acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)CN3CCN(CC3)C)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)CN3CCN(CC3)C)NC(=O)C

InChI

InChI=1S/C19H25N3O4S/c1-4-26-19(25)15-14-6-5-13(11-22-9-7-21(3)8-10-22)16(24)17(14)27-18(15)20-12(2)23/h5-6,24H,4,7-11H2,1-3H3,(H,20,23)