ethyl 3-[2,4-bis(fluoranyl)phenyl]sulfanyl-5-nitro-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[2,4-bis(fluoranyl)phenyl]sulfanyl-5-nitro-1H-indole-2-carboxylate Openeye Name: ethyl 3-(2,4-difluorophenyl)sulfanyl-5-nitro-1H-indole-2-carboxylate CAS Name: 3-[(2,4-difluorophenyl)thio]-5-nitro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,4-difluorophenyl)sulfanyl-5-nitro-1H-indole-2-carboxylate Traditional Name: 3-[(2,4-difluorophenyl)thio]-5-nitro-1H-indole-2-carboxylic acid ethyl ester Formula: C17H12F2N2O4S MolecularWeight: 378.349986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])SC3=C(C=C(C=C3)F)F

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])SC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C17H12F2N2O4S/c1-2-25-17(22)15-16(26-14-6-3-9(18)7-12(14)19)11-8-10(21(23)24)4-5-13(11)20-15/h3-8,20H,2H2,1H3