[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] (E)-3-(4-isopropoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-propenoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)acrylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=CC=CC=C2SC)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC=CC=C2SC)OC

InChI

InChI=1S/C22H25NO5S/c1-15(2)28-18-11-9-16(13-19(18)26-3)10-12-22(25)27-14-21(24)23-17-7-5-6-8-20(17)29-4/h5-13,15H,14H2,1-4H3,(H,23,24)/b12-10+