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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[[(1S)-2-methyl-1-thiophen-2-yl-propyl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[[(1S)-2-methyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-[[(1S)-2-methyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H29NO4S2 MolecularWeight: 447.61066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4S2/c1-15(2)21(18-11-8-12-29-18)24-20(26)14-30-17-10-7-6-9-16(17)22(27)28-13-19(25)23(3,4)5/h6-12,15,21H,13-14H2,1-5H3,(H,24,26)/t21-/m0/s1