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

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(o-tolylmethylamino)-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-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)/C=C/C2=CC=C(S2)Br

InChI

InChI=1S/C17H16BrNO3S/c1-12-4-2-3-5-13(12)10-19-16(20)11-22-17(21)9-7-14-6-8-15(18)23-14/h2-9H,10-11H2,1H3,(H,19,20)/b9-7+