[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(4-ethylanilino)-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [2-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-(4-ethylanilino)-2-keto-ethyl] ester Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=C(S2)Br

InChI

InChI=1S/C17H16BrNO3S/c1-2-12-3-5-13(6-4-12)19-16(20)11-22-17(21)10-8-14-7-9-15(18)23-14/h3-10H,2,11H2,1H3,(H,19,20)/b10-8+