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

Systemtic Name: ethyl 1-[(3,4-dichlorophenyl)methyl]-4-(3-oxidanylpropylsulfanyl)indole-2-carboxylate Openeye Name: ethyl 1-[(3,4-dichlorophenyl)methyl]-4-(3-hydroxypropylsulfanyl)indole-2-carboxylate CAS Name: 1-[(3,4-dichlorophenyl)methyl]-4-(3-hydroxypropylthio)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3,4-dichlorophenyl)methyl]-4-(3-hydroxypropylsulfanyl)indole-2-carboxylate Traditional Name: 1-(3,4-dichlorobenzyl)-4-(3-hydroxypropylthio)indole-2-carboxylic acid ethyl ester Formula: C21H21Cl2NO3S MolecularWeight: 438.36734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC3=CC(=C(C=C3)Cl)Cl)C=CC=C2SCCCO

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC3=CC(=C(C=C3)Cl)Cl)C=CC=C2SCCCO

InChI

InChI=1S/C21H21Cl2NO3S/c1-2-27-21(26)19-12-15-18(5-3-6-20(15)28-10-4-9-25)24(19)13-14-7-8-16(22)17(23)11-14/h3,5-8,11-12,25H,2,4,9-10,13H2,1H3