tert-butyl 3-[(thiophen-2-ylcarbonylamino)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[(thiophen-2-ylcarbonylamino)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[(thiophene-2-carbonylamino)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[oxo-[[oxo(thiophen-2-yl)methyl]hydrazo]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(thiophene-2-carbonylamino)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[(2-thenoylamino)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)C3=CC=CS3

InChI

InChI=1S/C20H23N3O4S/c1-20(2,3)27-19(26)23-12-14-8-5-4-7-13(14)11-15(23)17(24)21-22-18(25)16-9-6-10-28-16/h4-10,15H,11-12H2,1-3H3,(H,21,24)(H,22,25)