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

Systemtic Name: 2,5-dimethyl-1-(phenylmethyl)-4-[(thiophen-2-ylmethylamino)methyl]pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-2,5-dimethyl-4-[(2-thienylmethylamino)methyl]pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-(phenylmethyl)-4-[(thiophen-2-ylmethylamino)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-2,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 1-benzyl-2,5-dimethyl-4-[(2-thenylamino)methyl]pyrrole-3-carboxylic acid Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2S/c1-14-18(12-21-11-17-9-6-10-25-17)19(20(23)24)15(2)22(14)13-16-7-4-3-5-8-16/h3-10,21H,11-13H2,1-2H3,(H,23,24)