S-[2-[5-[2-(4-dimethylaminophenyl)ethenyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]phenyl] ethanethioate

Systemtic Name: S-[2-[5-[2-(4-dimethylaminophenyl)ethenyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]phenyl] ethanethioate Openeye Name: S-[2-[5-[2-(4-dimethylaminophenyl)vinyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[2-[5-[2-(4-dimethylaminophenyl)ethenyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]phenyl] ester IUPAC Name: S-[2-[5-[2-(4-dimethylaminophenyl)ethenyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-[2-(4-dimethylaminophenyl)vinyl]-1-pyrrolin-1-ium-1-yl]phenyl] ester Formula: C22H25N2OS+ MolecularWeight: 365.5117

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC=CC=C1[N+]2=C(CCC2)C=CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC(=O)SC1=CC=CC=C1[N+]2=C(CCC2)C=CC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H25N2OS/c1-17(25)26-22-9-5-4-8-21(22)24-16-6-7-20(24)15-12-18-10-13-19(14-11-18)23(2)3/h4-5,8-15H,6-7,16H2,1-3H3/q+1