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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCCCO)C(=C(N2)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)SCCCO)C(=C(N2)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl

InChI

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