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

Systemtic Name: [2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(2-acetylanilino)-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [2-(2-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylanilino)-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-(2-acetylanilino)-2-keto-ethyl] ester Formula: C17H14BrNO4S MolecularWeight: 408.26636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)/C=C/C2=CC=C(S2)Br

InChI

InChI=1S/C17H14BrNO4S/c1-11(20)13-4-2-3-5-14(13)19-16(21)10-23-17(22)9-7-12-6-8-15(18)24-12/h2-9H,10H2,1H3,(H,19,21)/b9-7+