(E)-3-(3-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(3-bromophenyl)-2-(5-morpholinosulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(3-bromophenyl)-2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(3-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(3-bromophenyl)-2-(5-morpholinosulfonyl-2-thienyl)acrylic acid Formula: C17H16BrNO5S2 MolecularWeight: 458.34664

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(S2)C(=CC3=CC(=CC=C3)Br)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC(=CC=C3)Br)/C(=O)O

InChI

InChI=1S/C17H16BrNO5S2/c18-13-3-1-2-12(10-13)11-14(17(20)21)15-4-5-16(25-15)26(22,23)19-6-8-24-9-7-19/h1-5,10-11H,6-9H2,(H,20,21)/b14-11-