tert-butyl 2-[[4-[cyclopropylcarbothioyl(methyl)amino]phenoxy]methyl]-6-fluoranyl-indole-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-[cyclopropylcarbothioyl(methyl)amino]phenoxy]methyl]-6-fluoranyl-indole-1-carboxylate Openeye Name: tert-butyl 2-[[4-[cyclopropanecarbothioyl(methyl)amino]phenoxy]methyl]-6-fluoro-indole-1-carboxylate CAS Name: 2-[[4-[[cyclopropyl(sulfanylidene)methyl]-methylamino]phenoxy]methyl]-6-fluoro-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[cyclopropanecarbothioyl(methyl)amino]phenoxy]methyl]-6-fluoroindole-1-carboxylate Traditional Name: 2-[[4-[cyclopropanecarbothioyl(methyl)amino]phenoxy]methyl]-6-fluoro-indole-1-carboxylic acid tert-butyl ester Formula: C25H27FN2O3S MolecularWeight: 454.556883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC2=C1C=C(C=C2)F)COC3=CC=C(C=C3)N(C)C(=S)C4CC4

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC2=C1C=C(C=C2)F)COC3=CC=C(C=C3)N(C)C(=S)C4CC4

InChI

InChI=1S/C25H27FN2O3S/c1-25(2,3)31-24(29)28-20(13-17-7-8-18(26)14-22(17)28)15-30-21-11-9-19(10-12-21)27(4)23(32)16-5-6-16/h7-14,16H,5-6,15H2,1-4H3