tert-butyl 3-(methylcarbamothioyloxymethyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate

Systemtic Name: tert-butyl 3-(methylcarbamothioyloxymethyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate Openeye Name: tert-butyl 3-(methylcarbamothioyloxymethyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate CAS Name: 3-[[methylamino(sulfanylidene)methoxy]methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(methylcarbamothioyloxymethyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate Traditional Name: 3-(methylthiocarbamoyloxymethyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid tert-butyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C2=CC=CC=C2CC(N1)COC(=S)NC

Isomeric SMILES

CC(C)(C)OC(=O)C1C2=CC=CC=C2CC(N1)COC(=S)NC

InChI

InChI=1S/C17H24N2O3S/c1-17(2,3)22-15(20)14-13-8-6-5-7-11(13)9-12(19-14)10-21-16(23)18-4/h5-8,12,14,19H,9-10H2,1-4H3,(H,18,23)