S-[2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]phenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]phenyl]-2-keto-ethyl] ester Formula: C21H23NO3S MolecularWeight: 369.47722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)OCCN2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)OCCN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H23NO3S/c1-16(23)26-15-21(24)18-6-8-20(9-7-18)25-13-12-22-11-10-17-4-2-3-5-19(17)14-22/h2-9H,10-15H2,1H3