methyl 3-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-indole-5-carboxylate

Systemtic Name: methyl 3-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-indole-5-carboxylate Openeye Name: methyl 3-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-indole-5-carboxylate CAS Name: 3-[(2,4-dichlorophenyl)methyl]-2-(methylthio)-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-indole-5-carboxylate Traditional Name: 3-(2,4-dichlorobenzyl)-2-(methylthio)-1H-indole-5-carboxylic acid methyl ester Formula: C18H15Cl2NO2S MolecularWeight: 380.2882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC(=C2CC3=C(C=C(C=C3)Cl)Cl)SC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC(=C2CC3=C(C=C(C=C3)Cl)Cl)SC

InChI

InChI=1S/C18H15Cl2NO2S/c1-23-18(22)11-4-6-16-13(8-11)14(17(21-16)24-2)7-10-3-5-12(19)9-15(10)20/h3-6,8-9,21H,7H2,1-2H3