methyl 3-[2,6-bis(chloranyl)phenyl]sulfanyl-5-chloranyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2,6-bis(chloranyl)phenyl]sulfanyl-5-chloranyl-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-(2,6-dichlorophenyl)sulfanyl-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[(2,6-dichlorophenyl)thio]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-(2,6-dichlorophenyl)sulfanyl-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[(2,6-dichlorophenyl)thio]-1H-indole-2-carboxylic acid methyl ester Formula: C16H10Cl3NO2S MolecularWeight: 386.6801

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)SC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)SC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C16H10Cl3NO2S/c1-22-16(21)13-14(9-7-8(17)5-6-12(9)20-13)23-15-10(18)3-2-4-11(15)19/h2-7,20H,1H3