2-aminocarbonylsulfanyl-2-(3-bromanyl-5-chloranyl-4-cyclohexyl-phenyl)ethanoic acid; ethane

Systemtic Name: 2-aminocarbonylsulfanyl-2-(3-bromanyl-5-chloranyl-4-cyclohexyl-phenyl)ethanoic acid; ethane Openeye Name: 2-(3-bromo-5-chloro-4-cyclohexyl-phenyl)-2-carbamoylsulfanyl-acetic acid; ethane CAS Name: 2-(3-bromo-5-chloro-4-cyclohexylphenyl)-2-(carbamoylthio)acetic acid; ethane IUPAC Name: 2-(3-bromo-5-chloro-4-cyclohexylphenyl)-2-carbamoylsulfanylacetic acid; ethane Traditional Name: 2-(3-bromo-5-chloro-4-cyclohexyl-phenyl)-2-(carbamoylthio)acetic acid; ethane Formula: C17H23BrClNO3S MolecularWeight: 436.79142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC.C1CCC(CC1)C2=C(C=C(C=C2Br)C(C(=O)O)SC(=O)N)Cl

Isomeric SMILES

CC.C1CCC(CC1)C2=C(C=C(C=C2Br)C(C(=O)O)SC(=O)N)Cl

InChI

InChI=1S/C15H17BrClNO3S.C2H6/c16-10-6-9(13(14(19)20)22-15(18)21)7-11(17)12(10)8-4-2-1-3-5-8;1-2/h6-8,13H,1-5H2,(H2,18,21)(H,19,20);1-2H3