2-[2-[1-(4-chlorophenyl)-3,3-dimethyl-2-benzothiophen-1-yl]ethylamino]ethanoic acid

Systemtic Name: 2-[2-[1-(4-chlorophenyl)-3,3-dimethyl-2-benzothiophen-1-yl]ethylamino]ethanoic acid Openeye Name: 2-[2-[1-(4-chlorophenyl)-3,3-dimethyl-2-benzothiophen-1-yl]ethylamino]acetic acid CAS Name: 2-[2-[1-(4-chlorophenyl)-3,3-dimethyl-2-benzothiophen-1-yl]ethylamino]acetic acid IUPAC Name: 2-[2-[1-(4-chlorophenyl)-3,3-dimethyl-2-benzothiophen-1-yl]ethylamino]acetic acid Traditional Name: 2-[2-[1-(4-chlorophenyl)-3,3-dimethyl-isobenzothiophen-1-yl]ethylamino]acetic acid Formula: C20H22ClNO2S MolecularWeight: 375.91218

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(S1)(CCNCC(=O)O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(S1)(CCNCC(=O)O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H22ClNO2S/c1-19(2)16-5-3-4-6-17(16)20(25-19,11-12-22-13-18(23)24)14-7-9-15(21)10-8-14/h3-10,22H,11-13H2,1-2H3,(H,23,24)