[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate

Systemtic Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: [(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid [(1S)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)C=CC2=CSC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)OC(=O)/C=C/C2=CSC=C2

InChI

InChI=1S/C18H18O3S/c1-12-4-5-13(2)16(10-12)18(20)14(3)21-17(19)7-6-15-8-9-22-11-15/h4-11,14H,1-3H3/b7-6+/t14-/m0/s1