[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl] 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-[[4-(4-fluorophenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid [2-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-2-keto-1-methyl-ethyl] ester Formula: C29H22FN3O4S MolecularWeight: 527.566083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)F)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)F)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

InChI

InChI=1S/C29H22FN3O4S/c1-17(26(34)32-29-31-23(16-38-29)18-12-14-20(30)15-13-18)37-28(36)25-24(19-8-4-3-5-9-19)21-10-6-7-11-22(21)27(35)33(25)2/h3-17H,1-2H3,(H,31,32,34)