ethyl 5-bromanyl-3-(3,5-dimethylphenyl)sulfanyl-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(3,5-dimethylphenyl)sulfanyl-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-(3,5-dimethylphenyl)sulfanyl-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[(3,5-dimethylphenyl)thio]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(3,5-dimethylphenyl)sulfanyl-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[(3,5-dimethylphenyl)thio]-1H-indole-2-carboxylic acid ethyl ester Formula: C19H18BrNO2S MolecularWeight: 404.32072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO2S/c1-4-23-19(22)17-18(15-10-13(20)5-6-16(15)21-17)24-14-8-11(2)7-12(3)9-14/h5-10,21H,4H2,1-3H3