5-(cyclohexylsulfanylmethyl)indole-1-carboxylic acid

Systemtic Name: 5-(cyclohexylsulfanylmethyl)indole-1-carboxylic acid Openeye Name: 5-(cyclohexylsulfanylmethyl)indole-1-carboxylic acid CAS Name: 5-[(cyclohexylthio)methyl]-1-indolecarboxylic acid IUPAC Name: 5-(cyclohexylsulfanylmethyl)indole-1-carboxylic acid Traditional Name: 5-[(cyclohexylthio)methyl]indole-1-carboxylic acid Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=CC3=C(C=C2)N(C=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)SCC2=CC3=C(C=C2)N(C=C3)C(=O)O

InChI

InChI=1S/C16H19NO2S/c18-16(19)17-9-8-13-10-12(6-7-15(13)17)11-20-14-4-2-1-3-5-14/h6-10,14H,1-5,11H2,(H,18,19)