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

Systemtic Name: 4-[(E)-3-(4-bromanylthiophen-2-yl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: 4-[(E)-3-(4-bromo-2-thienyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-(4-bromo-2-thiophenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate IUPAC Name: 4-[(E)-3-(4-bromothiophen-2-yl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-(4-bromo-2-thienyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Formula: C14H11BrNO3S- MolecularWeight: 353.21104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C=CC2=CC(=CS2)Br)C)C(=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)/C=C/C2=CC(=CS2)Br)C)C(=O)[O-]

InChI

InChI=1S/C14H12BrNO3S/c1-7-12(8(2)16-13(7)14(18)19)11(17)4-3-10-5-9(15)6-20-10/h3-6,16H,1-2H3,(H,18,19)/p-1/b4-3+