(phenylmethyl) 3-(1,3-thiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 3-(1,3-thiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 3-(thiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[oxo-(2-thiazolylamino)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1,3-thiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-(thiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)NC4=NC=CS4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)NC4=NC=CS4

InChI

InChI=1S/C21H19N3O3S/c25-19(23-20-22-10-11-28-20)18-12-16-8-4-5-9-17(16)13-24(18)21(26)27-14-15-6-2-1-3-7-15/h1-11,18H,12-14H2,(H,22,23,25)