3-(4-ethoxy-3-methoxy-phenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: 3-(4-ethoxy-3-methoxy-phenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: 3-(4-ethoxy-3-methoxy-phenyl)-2-(5-morpholinosulfonyl-2-thienyl)prop-2-enoic acid CAS Name: 3-(4-ethoxy-3-methoxyphenyl)-2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: 3-(4-ethoxy-3-methoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: 3-(4-ethoxy-3-methoxy-phenyl)-2-(5-morpholinosulfonyl-2-thienyl)acrylic acid Formula: C20H23NO7S2 MolecularWeight: 453.52912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCOCC3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCOCC3)C(=O)O)OC

InChI

InChI=1S/C20H23NO7S2/c1-3-28-16-5-4-14(13-17(16)26-2)12-15(20(22)23)18-6-7-19(29-18)30(24,25)21-8-10-27-11-9-21/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23)