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

Systemtic Name: (E)-3-(3-methoxy-4-oxidanyl-phenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoate Openeye Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoate IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylate Formula: C18H18NO6S2- MolecularWeight: 408.46862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCC3)C(=O)[O-])O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCC3)\C(=O)[O-])O

InChI

InChI=1S/C18H19NO6S2/c1-25-15-11-12(4-5-14(15)20)10-13(18(21)22)16-6-7-17(26-16)27(23,24)19-8-2-3-9-19/h4-7,10-11,20H,2-3,8-9H2,1H3,(H,21,22)/p-1/b13-10-