(E)-3-(2,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoate

Systemtic Name: (E)-3-(2,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoate Openeye Name: (E)-3-(2,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(2,5-dimethylphenyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoate IUPAC Name: (E)-3-(2,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(2,5-dimethylphenyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylate Formula: C19H20NO4S2- MolecularWeight: 390.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCC3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCC3)\C(=O)[O-]

InChI

InChI=1S/C19H21NO4S2/c1-13-5-6-14(2)15(11-13)12-16(19(21)22)17-7-8-18(25-17)26(23,24)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,22)/p-1/b16-12-