3-methyl-2-[[4-[2-(5-methylthiophen-2-yl)ethynyl]phenyl]sulfonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[4-[2-(5-methylthiophen-2-yl)ethynyl]phenyl]sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-[2-(5-methyl-2-thienyl)ethynyl]phenyl]sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[4-[2-(5-methyl-2-thiophenyl)ethynyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[[4-[2-(5-methylthiophen-2-yl)ethynyl]phenyl]sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[[4-[2-(5-methyl-2-thienyl)ethynyl]phenyl]sulfonylamino]butyric acid Formula: C18H19NO4S2 MolecularWeight: 377.47776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C#CC2=CC=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C#CC2=CC=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C18H19NO4S2/c1-12(2)17(18(20)21)19-25(22,23)16-10-6-14(7-11-16)5-9-15-8-4-13(3)24-15/h4,6-8,10-12,17,19H,1-3H3,(H,20,21)