ethyl 3-(3,5-dimethylphenyl)sulfanyl-4,5-bis(fluoranyl)-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-(3,5-dimethylphenyl)sulfanyl-4,5-bis(fluoranyl)-1H-indole-2-carboxylate Openeye Name: ethyl 3-(3,5-dimethylphenyl)sulfanyl-4,5-difluoro-1H-indole-2-carboxylate CAS Name: 3-[(3,5-dimethylphenyl)thio]-4,5-difluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,5-dimethylphenyl)sulfanyl-4,5-difluoro-1H-indole-2-carboxylate Traditional Name: 3-[(3,5-dimethylphenyl)thio]-4,5-difluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C19H17F2NO2S MolecularWeight: 361.405586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2F)F)SC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2F)F)SC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C19H17F2NO2S/c1-4-24-19(23)17-18(25-12-8-10(2)7-11(3)9-12)15-14(22-17)6-5-13(20)16(15)21/h5-9,22H,4H2,1-3H3