(5-ethanoyl-2-ethoxy-phenyl)methyl 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 4-[methyl(2-thienylsulfonyl)amino]butanoate CAS Name: 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate Traditional Name: 4-[methyl(2-thienylsulfonyl)amino]butyric acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C20H25NO6S2 MolecularWeight: 439.5456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CCCN(C)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CCCN(C)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C20H25NO6S2/c1-4-26-18-10-9-16(15(2)22)13-17(18)14-27-19(23)7-5-11-21(3)29(24,25)20-8-6-12-28-20/h6,8-10,12-13H,4-5,7,11,14H2,1-3H3