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

Systemtic Name: tert-butyl 6-fluoranyl-2-[[4-[2-methoxyethanethioyl(methyl)amino]phenoxy]methyl]indole-1-carboxylate Openeye Name: tert-butyl 6-fluoro-2-[[4-[(2-methoxyethanethioyl)-methyl-amino]phenoxy]methyl]indole-1-carboxylate CAS Name: 6-fluoro-2-[[4-[(2-methoxy-1-sulfanylideneethyl)-methylamino]phenoxy]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-fluoro-2-[[4-[(2-methoxyethanethioyl)-methylamino]phenoxy]methyl]indole-1-carboxylate Traditional Name: 6-fluoro-2-[[4-[(2-methoxythioacetyl)-methyl-amino]phenoxy]methyl]indole-1-carboxylic acid tert-butyl ester Formula: C24H27FN2O4S MolecularWeight: 458.545583

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN2O4S/c1-24(2,3)31-23(28)27-19(12-16-6-7-17(25)13-21(16)27)14-30-20-10-8-18(9-11-20)26(4)22(32)15-29-5/h6-13H,14-15H2,1-5H3