tert-butyl 3-(carbamothioyloxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-(carbamothioyloxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-(carbamothioyloxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-(carbamothioyloxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(carbamothioyloxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-(thiocarbamoyloxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1COC(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1COC(=S)N

InChI

InChI=1S/C16H22N2O3S/c1-16(2,3)21-15(19)18-9-12-7-5-4-6-11(12)8-13(18)10-20-14(17)22/h4-7,13H,8-10H2,1-3H3,(H2,17,22)