1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrrole-3-carboxylic acid

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-4-[(2-thienylmethylamino)methyl]-1-[(4-vinylphenyl)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-4-[(2-thenylamino)methyl]-1-(4-vinylbenzyl)pyrrole-3-carboxylic acid Formula: C22H24N2O2S MolecularWeight: 380.50316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=C(C=C2)C=C)C)C(=O)O)CNCC3=CC=CS3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=C(C=C2)C=C)C)C(=O)O)CNCC3=CC=CS3

InChI

InChI=1S/C22H24N2O2S/c1-4-17-7-9-18(10-8-17)14-24-15(2)20(21(16(24)3)22(25)26)13-23-12-19-6-5-11-27-19/h4-11,23H,1,12-14H2,2-3H3,(H,25,26)