ethyl 2-benzamido-6-(dimethylaminomethyl)-7-oxidanyl-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-benzamido-6-(dimethylaminomethyl)-7-oxidanyl-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-benzamido-6-(dimethylaminomethyl)-7-hydroxy-benzothiophene-3-carboxylate CAS Name: 2-benzamido-6-(dimethylaminomethyl)-7-hydroxy-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzamido-6-(dimethylaminomethyl)-7-hydroxy-1-benzothiophene-3-carboxylate Traditional Name: 2-benzamido-6-(dimethylaminomethyl)-7-hydroxy-benzothiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)CN(C)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)CN(C)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-4-27-21(26)16-15-11-10-14(12-23(2)3)17(24)18(15)28-20(16)22-19(25)13-8-6-5-7-9-13/h5-11,24H,4,12H2,1-3H3,(H,22,25)