(E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoate

Systemtic Name: (E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoate Openeye Name: (E)-3-(4-hydroxy-3,5-dimethyl-phenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3,5-dimethylphenyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoate IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3,5-dimethyl-phenyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylate Formula: C19H20NO5S2- MolecularWeight: 406.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCC3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCC3)\C(=O)[O-]

InChI

InChI=1S/C19H21NO5S2/c1-12-9-14(10-13(2)18(12)21)11-15(19(22)23)16-5-6-17(26-16)27(24,25)20-7-3-4-8-20/h5-6,9-11,21H,3-4,7-8H2,1-2H3,(H,22,23)/p-1/b15-11-