3-(dimethylamino)propyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate hydrochloride

Systemtic Name: 3-(dimethylamino)propyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate hydrochloride Openeye Name: 3-(dimethylamino)propyl 2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate hydrochloride CAS Name: 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 3-(dimethylamino)propyl ester hydrochloride IUPAC Name: 3-(dimethylamino)propyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate hydrochloride Traditional Name: 2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 3-(dimethylamino)propyl ester hydrochloride Formula: C21H27ClN2O3S MolecularWeight: 422.96868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

CN(C)CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C21H26N2O3S.ClH/c1-23(2)13-8-14-26-21(25)18-16-11-6-7-12-17(16)27-20(18)22-19(24)15-9-4-3-5-10-15;/h3-5,9-10H,6-8,11-14H2,1-2H3,(H,22,24);1H