(E)-3-(4-methylsulfanylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoate

Systemtic Name: (E)-3-(4-methylsulfanylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoate Openeye Name: (E)-3-(4-methylsulfanylphenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoate IUPAC Name: (E)-3-(4-methylsulfanylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylate Formula: C18H18NO4S3- MolecularWeight: 408.53482

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCC3)C(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCC3)\C(=O)[O-]

InChI

InChI=1S/C18H19NO4S3/c1-24-14-6-4-13(5-7-14)12-15(18(20)21)16-8-9-17(25-16)26(22,23)19-10-2-3-11-19/h4-9,12H,2-3,10-11H2,1H3,(H,20,21)/p-1/b15-12-