ethyl 2-[4-butoxy-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[4-butoxy-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[4-butoxy-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-isobutyl-1-oxo-6-isoquinolyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[4-butoxy-3-[[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]methyl]-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-butoxy-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-butoxy-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-isobutyl-1-keto-6-isoquinolyl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C40H43N3O6S MolecularWeight: 693.85092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=C(S3)C(=O)OCC)C)CC(C)C)CNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=C(S3)C(=O)OCC)C)CC(C)C)CNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C40H43N3O6S/c1-6-8-19-48-35-32-20-26(37-42-25(5)36(50-37)39(45)47-7-2)17-18-31(32)38(44)43(22-24(3)4)34(35)21-41-40(46)49-23-33-29-15-11-9-13-27(29)28-14-10-12-16-30(28)33/h9-18,20,24,33H,6-8,19,21-23H2,1-5H3,(H,41,46)