butanedioic acid; N,N-dimethyl-2-[1-(3-methylsulfanylphenyl)-1-phenyl-ethoxy]ethanamine

Systemtic Name: butanedioic acid; N,N-dimethyl-2-[1-(3-methylsulfanylphenyl)-1-phenyl-ethoxy]ethanamine Openeye Name: N,N-dimethyl-2-[1-(3-methylsulfanylphenyl)-1-phenyl-ethoxy]ethanamine; succinic acid CAS Name: butanedioic acid; N,N-dimethyl-2-[1-[3-(methylthio)phenyl]-1-phenylethoxy]ethanamine IUPAC Name: butanedioic acid; N,N-dimethyl-2-[1-(3-methylsulfanylphenyl)-1-phenylethoxy]ethanamine Traditional Name: dimethyl-[2-[1-[3-(methylthio)phenyl]-1-phenyl-ethoxy]ethyl]amine; succinic acid Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC(=CC=C2)SC)OCCN(C)C.C(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC(=CC=C2)SC)OCCN(C)C.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C19H25NOS.C4H6O4/c1-19(21-14-13-20(2)3,16-9-6-5-7-10-16)17-11-8-12-18(15-17)22-4;5-3(6)1-2-4(7)8/h5-12,15H,13-14H2,1-4H3;1-2H2,(H,5,6)(H,7,8)