methylsulfanyl 2-[2-[(4-oxidanylidene-1-phenyl-pentan-3-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methylsulfanyl 2-[2-[(4-oxidanylidene-1-phenyl-pentan-3-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methylsulfanyl 2-[2-[(2-oxo-1-phenethyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[1-oxo-2-[(4-oxo-1-phenylpentan-3-yl)amino]propyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (methylthio) ester IUPAC Name: methylsulfanyl 2-[2-[(4-oxo-1-phenylpentan-3-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-[(2-keto-1-phenethyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (methylthio) ester Formula: C25H30N2O4S MolecularWeight: 454.5817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)OSC)NC(CCC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)OSC)NC(CCC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C25H30N2O4S/c1-17(26-22(18(2)28)14-13-19-9-5-4-6-10-19)24(29)27-16-21-12-8-7-11-20(21)15-23(27)25(30)31-32-3/h4-12,17,22-23,26H,13-16H2,1-3H3