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

Systemtic Name: 2-[2-[[5-ethyl-3-(phenylcarbonyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[2-[(3-benzoyl-5-ethyl-2-thienyl)amino]-2-oxo-ethyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[2-[(3-benzoyl-5-ethyl-2-thiophenyl)amino]-2-oxoethyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[2-[(3-benzoyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[2-[(3-benzoyl-5-ethyl-2-thienyl)amino]-2-keto-ethyl]thio]-2-methyl-propionic acid Formula: C19H21NO4S2 MolecularWeight: 391.50434

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4S2/c1-4-13-10-14(16(22)12-8-6-5-7-9-12)17(26-13)20-15(21)11-25-19(2,3)18(23)24/h5-10H,4,11H2,1-3H3,(H,20,21)(H,23,24)