ethyl 3-[(4-dimethylaminophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[(4-dimethylaminophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4-dimethylaminophenyl)methylamino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 3-[(4-dimethylaminophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-dimethylaminophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[4-(dimethylamino)benzyl]amino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid ethyl ester Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CCCC2)NCC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)CCCC2)NCC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H26N2O2S/c1-4-24-20(23)19-18(16-7-5-6-8-17(16)25-19)21-13-14-9-11-15(12-10-14)22(2)3/h9-12,21H,4-8,13H2,1-3H3