1-[(4-ethenylphenyl)methyl]-3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]indole-2-carboxylic acid

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]indole-2-carboxylic acid Openeye Name: 3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]-1-[(4-vinylphenyl)methyl]indole-2-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-3-[[2-[4-(methylthio)phenyl]ethylamino]methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]indole-2-carboxylic acid Traditional Name: 3-[[2-[4-(methylthio)phenyl]ethylamino]methyl]-1-(4-vinylbenzyl)indole-2-carboxylic acid Formula: C28H28N2O2S MolecularWeight: 456.59912

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCNCC2=C(N(C3=CC=CC=C32)CC4=CC=C(C=C4)C=C)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CCNCC2=C(N(C3=CC=CC=C32)CC4=CC=C(C=C4)C=C)C(=O)O

InChI

InChI=1S/C28H28N2O2S/c1-3-20-8-10-22(11-9-20)19-30-26-7-5-4-6-24(26)25(27(30)28(31)32)18-29-17-16-21-12-14-23(33-2)15-13-21/h3-15,29H,1,16-19H2,2H3,(H,31,32)