3-(2-azanylethyl)-5-methylsulfanyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-(2-azanylethyl)-5-methylsulfanyl-1H-indole-2-carboxylic acid Openeye Name: 3-(2-aminoethyl)-5-methylsulfanyl-1H-indole-2-carboxylic acid CAS Name: 3-(2-aminoethyl)-5-(methylthio)-1H-indole-2-carboxylic acid IUPAC Name: 3-(2-aminoethyl)-5-methylsulfanyl-1H-indole-2-carboxylic acid Traditional Name: 3-(2-aminoethyl)-5-(methylthio)-1H-indole-2-carboxylic acid Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)NC(=C2CCN)C(=O)O

Isomeric SMILES

CSC1=CC2=C(C=C1)NC(=C2CCN)C(=O)O

InChI

InChI=1S/C12H14N2O2S/c1-17-7-2-3-10-9(6-7)8(4-5-13)11(14-10)12(15)16/h2-3,6,14H,4-5,13H2,1H3,(H,15,16)