(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-oxo-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H25NO4S2 MolecularWeight: 419.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H](C1=CC=CS1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C21H25NO4S2/c1-14(16-10-7-11-27-16)22-19(24)13-28-17-9-6-5-8-15(17)20(25)26-12-18(23)21(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,22,24)/t14-/m0/s1