S-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-oxopropyl] ester IUPAC Name: S-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-2-methyl-propyl] ester Formula: C15H19NO2S MolecularWeight: 277.38186

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C15H19NO2S/c1-11(10-19-12(2)17)15(18)16-8-7-13-5-3-4-6-14(13)9-16/h3-6,11H,7-10H2,1-2H3