ethyl 1-[(3,4-dichlorophenyl)methyl]-3-(phenylmethylsulfanyl)indole-2-carboxylate

Systemtic Name: ethyl 1-[(3,4-dichlorophenyl)methyl]-3-(phenylmethylsulfanyl)indole-2-carboxylate Openeye Name: ethyl 3-benzylsulfanyl-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylate CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3-(phenylmethylthio)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylate Traditional Name: 3-(benzylthio)-1-(3,4-dichlorobenzyl)indole-2-carboxylic acid ethyl ester Formula: C25H21Cl2NO2S MolecularWeight: 470.41074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC(=C(C=C3)Cl)Cl)SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC(=C(C=C3)Cl)Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C25H21Cl2NO2S/c1-2-30-25(29)23-24(31-16-17-8-4-3-5-9-17)19-10-6-7-11-22(19)28(23)15-18-12-13-20(26)21(27)14-18/h3-14H,2,15-16H2,1H3