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

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C=CC2=CC=C(S2)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO3S/c1-11-7-12(2)9-13(8-11)19-16(20)10-22-17(21)6-4-14-3-5-15(18)23-14/h3-9H,10H2,1-2H3,(H,19,20)/b6-4+