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

Systemtic Name: 2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 2-[[[4-ethoxy-1-(mercaptomethyl)cyclohexyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 2-[[4-ethoxy-1-(mercaptomethyl)cyclohexanecarbonyl]amino]-3-(2-thienyl)propionic acid Formula: C17H25NO4S2 MolecularWeight: 371.5147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4S2/c1-2-22-12-5-7-17(11-23,8-6-12)16(21)18-14(15(19)20)10-13-4-3-9-24-13/h3-4,9,12,14,23H,2,5-8,10-11H2,1H3,(H,18,21)(H,19,20)