4-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(E)-3-(5-bromo-2-thienyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C14H12BrNO3S MolecularWeight: 354.21898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C=CC2=CC=C(S2)Br)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1C(=O)/C=C/C2=CC=C(S2)Br)C)C(=O)O

InChI

InChI=1S/C14H12BrNO3S/c1-7-12(8(2)16-13(7)14(18)19)10(17)5-3-9-4-6-11(15)20-9/h3-6,16H,1-2H3,(H,18,19)/b5-3+