7-chloranyl-2-methyl-1-(1-methylsulfanylpropyl)indole-3-carboxylic acid

Systemtic Name: 7-chloranyl-2-methyl-1-(1-methylsulfanylpropyl)indole-3-carboxylic acid Openeye Name: 7-chloro-2-methyl-1-(1-methylsulfanylpropyl)indole-3-carboxylic acid CAS Name: 7-chloro-2-methyl-1-[1-(methylthio)propyl]-3-indolecarboxylic acid IUPAC Name: 7-chloro-2-methyl-1-(1-methylsulfanylpropyl)indole-3-carboxylic acid Traditional Name: 7-chloro-2-methyl-1-[1-(methylthio)propyl]indole-3-carboxylic acid Formula: C14H16ClNO2S MolecularWeight: 297.80034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C(=C(C2=C1C(=CC=C2)Cl)C(=O)O)C)SC

Isomeric SMILES

CCC(N1C(=C(C2=C1C(=CC=C2)Cl)C(=O)O)C)SC

InChI

InChI=1S/C14H16ClNO2S/c1-4-11(19-3)16-8(2)12(14(17)18)9-6-5-7-10(15)13(9)16/h5-7,11H,4H2,1-3H3,(H,17,18)