3-[(E)-3-[5-(3-bromophenyl)thiophen-2-yl]prop-2-enoyl]-6-methyl-pyran-2,4-dione

Systemtic Name: 3-[(E)-3-[5-(3-bromophenyl)thiophen-2-yl]prop-2-enoyl]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(E)-3-[5-(3-bromophenyl)-2-thienyl]prop-2-enoyl]-6-methyl-pyran-2,4-dione CAS Name: 3-[(E)-3-[5-(3-bromophenyl)-2-thiophenyl]-1-oxoprop-2-enyl]-6-methylpyran-2,4-dione IUPAC Name: 3-[(E)-3-[5-(3-bromophenyl)thiophen-2-yl]prop-2-enoyl]-6-methylpyran-2,4-dione Traditional Name: 3-[(E)-3-[5-(3-bromophenyl)-2-thienyl]acryloyl]-6-methyl-pyran-2,4-quinone Formula: C19H13BrO4S MolecularWeight: 417.27312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(C(=O)O1)C(=O)C=CC2=CC=C(S2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=O)C(C(=O)O1)C(=O)/C=C/C2=CC=C(S2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H13BrO4S/c1-11-9-16(22)18(19(23)24-11)15(21)7-5-14-6-8-17(25-14)12-3-2-4-13(20)10-12/h2-10,18H,1H3/b7-5+