3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl 2-(methylamino)propanoate

Systemtic Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl 2-(methylamino)propanoate Openeye Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl 2-(methylamino)propanoate CAS Name: 2-(methylamino)propanoic acid 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl ester IUPAC Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl 2-(methylamino)propanoate Traditional Name: 2-(methylamino)propionic acid 3-(3,3-dimethyl-1-phenyl-isobenzothiophen-1-yl)propyl ester Formula: C23H29NO2S MolecularWeight: 383.54686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCCC1(C2=CC=CC=C2C(S1)(C)C)C3=CC=CC=C3)NC

Isomeric SMILES

CC(C(=O)OCCCC1(C2=CC=CC=C2C(S1)(C)C)C3=CC=CC=C3)NC

InChI

InChI=1S/C23H29NO2S/c1-17(24-4)21(25)26-16-10-15-23(18-11-6-5-7-12-18)20-14-9-8-13-19(20)22(2,3)27-23/h5-9,11-14,17,24H,10,15-16H2,1-4H3