tert-butyl (3S)-3-(1,3-thiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-(1,3-thiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-(thiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[oxo-(2-thiazolylamino)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(1,3-thiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(thiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=NC=CS3

InChI

InChI=1S/C18H21N3O3S/c1-18(2,3)24-17(23)21-11-13-7-5-4-6-12(13)10-14(21)15(22)20-16-19-8-9-25-16/h4-9,14H,10-11H2,1-3H3,(H,19,20,22)/t14-/m0/s1