[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] (E)-3-(4-allyloxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-prop-2-enoxyphenyl)-2-propenoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-allyloxyphenyl)acrylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C=CC2=CC=C(C=C2)OCC=C

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C21H21NO4S/c1-3-13-25-18-10-7-16(8-11-18)9-12-21(24)26-15-20(23)22-17-5-4-6-19(14-17)27-2/h3-12,14H,1,13,15H2,2H3,(H,22,23)/b12-9+