2-[[4-ethoxy-1-(2-oxidanylidene-1-sulfanyl-propyl)cyclohexyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 2-[[4-ethoxy-1-(2-oxidanylidene-1-sulfanyl-propyl)cyclohexyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 2-[[4-ethoxy-1-(2-oxo-1-sulfanyl-propyl)cyclohexanecarbonyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 2-[[[4-ethoxy-1-(1-mercapto-2-oxopropyl)cyclohexyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-[[4-ethoxy-1-(2-oxo-1-sulfanylpropyl)cyclohexanecarbonyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 2-[[4-ethoxy-1-(2-keto-1-mercapto-propyl)cyclohexanecarbonyl]amino]-3-(2-thienyl)propionic acid Formula: C19H27NO5S2 MolecularWeight: 413.55138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCC(CC1)(C(C(=O)C)S)C(=O)NC(CC2=CC=CS2)C(=O)O

Isomeric SMILES

CCOC1CCC(CC1)(C(C(=O)C)S)C(=O)NC(CC2=CC=CS2)C(=O)O

InChI

InChI=1S/C19H27NO5S2/c1-3-25-13-6-8-19(9-7-13,16(26)12(2)21)18(24)20-15(17(22)23)11-14-5-4-10-27-14/h4-5,10,13,15-16,26H,3,6-9,11H2,1-2H3,(H,20,24)(H,22,23)