1-[(3,4-dichlorophenyl)methyl]-4-(3-oxidanylpropylsulfanyl)indole-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-4-(3-oxidanylpropylsulfanyl)indole-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-4-(3-hydroxypropylsulfanyl)indole-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-4-(3-hydroxypropylthio)-2-indolecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-4-(3-hydroxypropylsulfanyl)indole-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-4-(3-hydroxypropylthio)indole-2-carboxylic acid Formula: C19H17Cl2NO3S MolecularWeight: 410.31418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(N2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)C(=C1)SCCCO

Isomeric SMILES

C1=CC2=C(C=C(N2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)C(=C1)SCCCO

InChI

InChI=1S/C19H17Cl2NO3S/c20-14-6-5-12(9-15(14)21)11-22-16-3-1-4-18(26-8-2-7-23)13(16)10-17(22)19(24)25/h1,3-6,9-10,23H,2,7-8,11H2,(H,24,25)