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

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(2-methylsulfanylanilino)-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-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-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-(methylthio)anilino]ethyl] ester Formula: C16H14BrNO3S2 MolecularWeight: 412.32126

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)/C=C/C2=CC=C(S2)Br

InChI

InChI=1S/C16H14BrNO3S2/c1-22-13-5-3-2-4-12(13)18-15(19)10-21-16(20)9-7-11-6-8-14(17)23-11/h2-9H,10H2,1H3,(H,18,19)/b9-7+