methyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzothiophene-1-carboxylate

Systemtic Name: methyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzothiophene-1-carboxylate Openeye Name: methyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzothiophene-1-carboxylate CAS Name: 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzothiophene-1-carboxylic acid methyl ester IUPAC Name: methyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzothiophene-1-carboxylate Traditional Name: 1-[3-(dimethylamino)propyl]-3,3-dimethyl-isobenzothiophene-1-carboxylic acid methyl ester Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(S1)(CCCN(C)C)C(=O)OC)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(S1)(CCCN(C)C)C(=O)OC)C

InChI

InChI=1S/C17H25NO2S/c1-16(2)13-9-6-7-10-14(13)17(21-16,15(19)20-5)11-8-12-18(3)4/h6-7,9-10H,8,11-12H2,1-5H3