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

Systemtic Name: 2-[[4-ethoxy-1-(2-oxidanylidene-1-sulfanyl-2-thiophen-2-yl-ethyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-ethoxy-1-[2-oxo-1-sulfanyl-2-(2-thienyl)ethyl]cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-ethoxy-1-(1-mercapto-2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-ethoxy-1-(2-oxo-1-sulfanyl-2-thiophen-2-ylethyl)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-ethoxy-1-[2-keto-1-mercapto-2-(2-thienyl)ethyl]cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C24H29NO5S2 MolecularWeight: 475.62076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCC(CC1)(C(C(=O)C2=CC=CS2)S)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC1CCC(CC1)(C(C(=O)C2=CC=CS2)S)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H29NO5S2/c1-2-30-17-10-12-24(13-11-17,21(31)20(26)19-9-6-14-32-19)23(29)25-18(22(27)28)15-16-7-4-3-5-8-16/h3-9,14,17-18,21,31H,2,10-13,15H2,1H3,(H,25,29)(H,27,28)