(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C19H19NO6S2 MolecularWeight: 421.48726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)C(=CC3=CC4=C(C=C3)OCCO4)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC4=C(C=C3)OCCO4)/C(=O)O

InChI

InChI=1S/C19H19NO6S2/c21-19(22)14(11-13-3-4-15-16(12-13)26-10-9-25-15)17-5-6-18(27-17)28(23,24)20-7-1-2-8-20/h3-6,11-12H,1-2,7-10H2,(H,21,22)/b14-11-