[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)OCC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)OCC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C19H18BrNO4S/c1-24-17-8-7-14(20)10-13(17)6-9-19(23)25-12-18(22)21-15-4-3-5-16(11-15)26-2/h3-11H,12H2,1-2H3,(H,21,22)/b9-6+