2-(methoxycarbonylamino)-2-methyl-4-[4-(5-phenylpent-1-ynyl)thiophen-2-yl]butanoic acid

Systemtic Name: 2-(methoxycarbonylamino)-2-methyl-4-[4-(5-phenylpent-1-ynyl)thiophen-2-yl]butanoic acid Openeye Name: 2-(methoxycarbonylamino)-2-methyl-4-[4-(5-phenylpent-1-ynyl)-2-thienyl]butanoic acid CAS Name: 2-(methoxycarbonylamino)-2-methyl-4-[4-(5-phenylpent-1-ynyl)-2-thiophenyl]butanoic acid IUPAC Name: 2-(methoxycarbonylamino)-2-methyl-4-[4-(5-phenylpent-1-ynyl)thiophen-2-yl]butanoic acid Traditional Name: 2-(carbomethoxyamino)-2-methyl-4-[4-(5-phenylpent-1-ynyl)-2-thienyl]butyric acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=CS1)C#CCCCC2=CC=CC=C2)(C(=O)O)NC(=O)OC

Isomeric SMILES

CC(CCC1=CC(=CS1)C#CCCCC2=CC=CC=C2)(C(=O)O)NC(=O)OC

InChI

InChI=1S/C22H25NO4S/c1-22(20(24)25,23-21(26)27-2)14-13-19-15-18(16-28-19)12-8-4-7-11-17-9-5-3-6-10-17/h3,5-6,9-10,15-16H,4,7,11,13-14H2,1-2H3,(H,23,26)(H,24,25)