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

Systemtic Name: ethyl 4-chloranyl-3-(3,5-dimethylphenyl)sulfanyl-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: ethyl 4-chloro-3-(3,5-dimethylphenyl)sulfanyl-5-fluoro-1H-indole-2-carboxylate CAS Name: 4-chloro-3-[(3,5-dimethylphenyl)thio]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-3-(3,5-dimethylphenyl)sulfanyl-5-fluoro-1H-indole-2-carboxylate Traditional Name: 4-chloro-3-[(3,5-dimethylphenyl)thio]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C19H17ClFNO2S MolecularWeight: 377.860183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2Cl)F)SC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2Cl)F)SC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C19H17ClFNO2S/c1-4-24-19(23)17-18(25-12-8-10(2)7-11(3)9-12)15-14(22-17)6-5-13(21)16(15)20/h5-9,22H,4H2,1-3H3