3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-prop-2-enoxy-indole-2-carboxylic acid

Systemtic Name: 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-prop-2-enoxy-indole-2-carboxylic acid Openeye Name: 5-allyloxy-3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid CAS Name: 3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-prop-2-enoxy-2-indolecarboxylic acid IUPAC Name: 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-prop-2-enoxyindole-2-carboxylic acid Traditional Name: 5-allyloxy-3-(tert-butylthio)-1-(4-chlorobenzyl)indole-2-carboxylic acid Formula: C23H24ClNO3S MolecularWeight: 429.95956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC=C)CC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC=C)CC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H24ClNO3S/c1-5-12-28-17-10-11-19-18(13-17)21(29-23(2,3)4)20(22(26)27)25(19)14-15-6-8-16(24)9-7-15/h5-11,13H,1,12,14H2,2-4H3,(H,26,27)