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

Systemtic Name: 2-[2-[[3-(3,4-dimethylphenyl)carbonyl-5-ethyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[2-[[3-(3,4-dimethylbenzoyl)-5-ethyl-2-thienyl]amino]-2-oxo-ethyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[2-[[3-[(3,4-dimethylphenyl)-oxomethyl]-5-ethyl-2-thiophenyl]amino]-2-oxoethyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[2-[[3-(3,4-dimethylbenzoyl)-5-ethylthiophen-2-yl]amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[2-[[3-(3,4-dimethylbenzoyl)-5-ethyl-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(S1)NC(=O)CSC(C)(C)C(=O)O)C(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC(C)(C)C(=O)O)C(=O)C2=CC(=C(C=C2)C)C

InChI

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