[(2S)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate

Systemtic Name: [(2S)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: [(1S)-2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid [(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid [(1S)-2-(2-isopropyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/c1-13(2)17-7-5-6-14(3)19(17)21-20(23)15(4)24-18(22)9-8-16-10-11-25-12-16/h5-13,15H,1-4H3,(H,21,23)/b9-8+/t15-/m0/s1