[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (E)-3-(3-methylphenyl)prop-2-enoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (E)-3-(3-methylphenyl)prop-2-enoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] (E)-3-(m-tolyl)prop-2-enoate CAS Name: (E)-3-(3-methylphenyl)-2-propenoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] (E)-3-(3-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(m-tolyl)acrylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C16H13BrO3S MolecularWeight: 365.24162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C16H13BrO3S/c1-11-3-2-4-12(9-11)5-8-16(19)20-10-13(18)14-6-7-15(17)21-14/h2-9H,10H2,1H3/b8-5+