[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C18H16BrNO3S MolecularWeight: 406.29354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C=CSC2=CC=CC=C2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)/C=C/SC2=CC=CC=C2)Br

InChI

InChI=1S/C18H16BrNO3S/c1-13-7-8-16(15(19)11-13)20-17(21)12-23-18(22)9-10-24-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21)/b10-9+