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

Systemtic Name: ethyl 2-benzamido-6-(diethylaminomethyl)-7-oxidanyl-1-benzothiophene-3-carboxylate hydrochloride Openeye Name: ethyl 2-benzamido-6-(diethylaminomethyl)-7-hydroxy-benzothiophene-3-carboxylate hydrochloride CAS Name: 2-benzamido-6-(diethylaminomethyl)-7-hydroxy-1-benzothiophene-3-carboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-benzamido-6-(diethylaminomethyl)-7-hydroxy-1-benzothiophene-3-carboxylate hydrochloride Traditional Name: 2-benzamido-6-(diethylaminomethyl)-7-hydroxy-benzothiophene-3-carboxylic acid ethyl ester hydrochloride Formula: C23H27ClN2O4S MolecularWeight: 462.98948

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C2=C(C=C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)OCC)O.Cl

Isomeric SMILES

CCN(CC)CC1=C(C2=C(C=C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)OCC)O.Cl

InChI

InChI=1S/C23H26N2O4S.ClH/c1-4-25(5-2)14-16-12-13-17-18(23(28)29-6-3)22(30-20(17)19(16)26)24-21(27)15-10-8-7-9-11-15;/h7-13,26H,4-6,14H2,1-3H3,(H,24,27);1H