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

Systemtic Name: 3-(4-cyanophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: 3-(4-cyanophenyl)-2-(5-morpholinosulfonyl-2-thienyl)prop-2-enoic acid CAS Name: 3-(4-cyanophenyl)-2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: 3-(4-cyanophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: 3-(4-cyanophenyl)-2-(5-morpholinosulfonyl-2-thienyl)acrylic acid Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(S2)C(=CC3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(S2)C(=CC3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C18H16N2O5S2/c19-12-14-3-1-13(2-4-14)11-15(18(21)22)16-5-6-17(26-16)27(23,24)20-7-9-25-10-8-20/h1-6,11H,7-10H2,(H,21,22)