(E)-3-(5-bromanylthiophen-2-yl)-2-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]prop-2-enenitrile

Systemtic Name: (E)-3-(5-bromanylthiophen-2-yl)-2-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]prop-2-enenitrile Openeye Name: (E)-2-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-(5-bromo-2-thienyl)prop-2-enenitrile CAS Name: (E)-2-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]-3-(5-bromo-2-thiophenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-(5-bromothiophen-2-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-(5-bromo-2-thienyl)acrylonitrile Formula: C16H13BrN2O2S MolecularWeight: 377.25562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O2S/c1-8-14(10(3)20)9(2)19-15(8)16(21)11(7-18)6-12-4-5-13(17)22-12/h4-6,19H,1-3H3/b11-6+