2-[2-[[5-ethyl-3-(4-ethylphenyl)carbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[2-[[5-ethyl-3-(4-ethylphenyl)carbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[2-[[5-ethyl-3-(4-ethylbenzoyl)-2-thienyl]amino]-2-oxo-ethyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[2-[[5-ethyl-3-[(4-ethylphenyl)-oxomethyl]-2-thiophenyl]amino]-2-oxoethyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[2-[[5-ethyl-3-(4-ethylbenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[2-[[5-ethyl-3-(4-ethylbenzoyl)-2-thienyl]amino]-2-keto-ethyl]thio]-2-methyl-propionic acid Formula: C21H25NO4S2 MolecularWeight: 419.5575

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C2=C(SC(=C2)CC)NC(=O)CSC(C)(C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C2=C(SC(=C2)CC)NC(=O)CSC(C)(C)C(=O)O

InChI

InChI=1S/C21H25NO4S2/c1-5-13-7-9-14(10-8-13)18(24)16-11-15(6-2)28-19(16)22-17(23)12-27-21(3,4)20(25)26/h7-11H,5-6,12H2,1-4H3,(H,22,23)(H,25,26)