methyl 4-[2-[2-(5-chloranyl-2-methyl-1H-indol-3-yl)ethylsulfanyl]ethyl]benzoate

Systemtic Name: methyl 4-[2-[2-(5-chloranyl-2-methyl-1H-indol-3-yl)ethylsulfanyl]ethyl]benzoate Openeye Name: methyl 4-[2-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethylsulfanyl]ethyl]benzoate CAS Name: 4-[2-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethylthio]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethylsulfanyl]ethyl]benzoate Traditional Name: 4-[2-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethylthio]ethyl]benzoic acid methyl ester Formula: C21H22ClNO2S MolecularWeight: 387.92288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)Cl)CCSCCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)Cl)CCSCCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22ClNO2S/c1-14-18(19-13-17(22)7-8-20(19)23-14)10-12-26-11-9-15-3-5-16(6-4-15)21(24)25-2/h3-8,13,23H,9-12H2,1-2H3