1-[(3-ethylthiophen-2-yl)methyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[(3-ethylthiophen-2-yl)methyl]pyrrole-2-carboxylic acid Openeye Name: 1-[(3-ethyl-2-thienyl)methyl]pyrrole-2-carboxylic acid CAS Name: 1-[(3-ethyl-2-thiophenyl)methyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[(3-ethylthiophen-2-yl)methyl]pyrrole-2-carboxylic acid Traditional Name: 1-[(3-ethyl-2-thienyl)methyl]pyrrole-2-carboxylic acid Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1)CN2C=CC=C2C(=O)O

Isomeric SMILES

CCC1=C(SC=C1)CN2C=CC=C2C(=O)O

InChI

InChI=1S/C12H13NO2S/c1-2-9-5-7-16-11(9)8-13-6-3-4-10(13)12(14)15/h3-7H,2,8H2,1H3,(H,14,15)