S-[2-[4-[[2-hydroxyethyl(phenethyl)amino]methyl]phenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-[[2-hydroxyethyl(phenethyl)amino]methyl]phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-[[2-hydroxyethyl(phenethyl)amino]methyl]phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-[[2-hydroxyethyl(phenethyl)amino]methyl]phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-[[2-hydroxyethyl(phenethyl)amino]methyl]phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-[[2-hydroxyethyl(phenethyl)amino]methyl]phenyl]-2-keto-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)CN(CCC2=CC=CC=C2)CCO

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)CN(CCC2=CC=CC=C2)CCO

InChI

InChI=1S/C21H25NO3S/c1-17(24)26-16-21(25)20-9-7-19(8-10-20)15-22(13-14-23)12-11-18-5-3-2-4-6-18/h2-10,23H,11-16H2,1H3