(7-acetyloxy-1-methanethioyl-1,2,3,4-tetrahydroisoquinolin-6-yl) ethanoate

Systemtic Name: (7-acetyloxy-1-methanethioyl-1,2,3,4-tetrahydroisoquinolin-6-yl) ethanoate Openeye Name: (7-acetoxy-1-methanethioyl-1,2,3,4-tetrahydroisoquinolin-6-yl) acetate CAS Name: acetic acid (7-acetyloxy-1-methanethioyl-1,2,3,4-tetrahydroisoquinolin-6-yl) ester IUPAC Name: (7-acetyloxy-1-methanethioyl-1,2,3,4-tetrahydroisoquinolin-6-yl) acetate Traditional Name: acetic acid (7-acetoxy-1-thioformyl-1,2,3,4-tetrahydroisoquinolin-6-yl) ester Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(NCCC2=C1)C=S)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C2C(NCCC2=C1)C=S)OC(=O)C

InChI

InChI=1S/C14H15NO4S/c1-8(16)18-13-5-10-3-4-15-12(7-20)11(10)6-14(13)19-9(2)17/h5-7,12,15H,3-4H2,1-2H3