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

Systemtic Name: ethyl 3-(3,5-dimethylphenyl)sulfanyl-5-ethanoyl-1H-indole-2-carboxylate Openeye Name: ethyl 5-acetyl-3-(3,5-dimethylphenyl)sulfanyl-1H-indole-2-carboxylate CAS Name: 5-acetyl-3-[(3,5-dimethylphenyl)thio]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-3-(3,5-dimethylphenyl)sulfanyl-1H-indole-2-carboxylate Traditional Name: 5-acetyl-3-[(3,5-dimethylphenyl)thio]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3S/c1-5-25-21(24)19-20(26-16-9-12(2)8-13(3)10-16)17-11-15(14(4)23)6-7-18(17)22-19/h6-11,22H,5H2,1-4H3