ethyl 2-acetamido-6-(diethylaminomethyl)-7-oxidanyl-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-6-(diethylaminomethyl)-7-oxidanyl-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-(diethylaminomethyl)-7-hydroxy-benzothiophene-3-carboxylate CAS Name: 2-acetamido-6-(diethylaminomethyl)-7-hydroxy-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-6-(diethylaminomethyl)-7-hydroxy-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-(diethylaminomethyl)-7-hydroxy-benzothiophene-3-carboxylic acid ethyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C2=C(C=C1)C(=C(S2)NC(=O)C)C(=O)OCC)O

Isomeric SMILES

CCN(CC)CC1=C(C2=C(C=C1)C(=C(S2)NC(=O)C)C(=O)OCC)O

InChI

InChI=1S/C18H24N2O4S/c1-5-20(6-2)10-12-8-9-13-14(18(23)24-7-3)17(19-11(4)21)25-16(13)15(12)22/h8-9,22H,5-7,10H2,1-4H3,(H,19,21)