[(3E)-3-methyl-4-(1-prop-2-enoylpyrrol-2-yl)buta-1,3-dien-2-yl] methanesulfonate

Systemtic Name: [(3E)-3-methyl-4-(1-prop-2-enoylpyrrol-2-yl)buta-1,3-dien-2-yl] methanesulfonate Openeye Name: [(E)-2-methyl-1-methylene-3-(1-prop-2-enoylpyrrol-2-yl)allyl] methanesulfonate CAS Name: methanesulfonic acid [(3E)-3-methyl-4-[1-(1-oxoprop-2-enyl)-2-pyrrolyl]buta-1,3-dien-2-yl] ester IUPAC Name: [(3E)-3-methyl-4-(1-prop-2-enoylpyrrol-2-yl)buta-1,3-dien-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(E)-3-(1-acryloylpyrrol-2-yl)-2-methyl-1-methylene-allyl] ester Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CN1C(=O)C=C)C(=C)OS(=O)(=O)C

Isomeric SMILES

C/C(=C\C1=CC=CN1C(=O)C=C)/C(=C)OS(=O)(=O)C

InChI

InChI=1S/C13H15NO4S/c1-5-13(15)14-8-6-7-12(14)9-10(2)11(3)18-19(4,16)17/h5-9H,1,3H2,2,4H3/b10-9+