3-[[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: 3-[[2-[[(1S)-1,5-dimethylhexyl]amino]-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl]thio]methyl]benzoate IUPAC Name: 3-[[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-[[(1S)-1,5-dimethylhexyl]amino]-2-keto-ethyl]thio]methyl]benzoate Formula: C18H26NO3S- MolecularWeight: 336.46894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)CSCC1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)CSCC1=CC=CC(=C1)C(=O)[O-]

InChI

InChI=1S/C18H27NO3S/c1-13(2)6-4-7-14(3)19-17(20)12-23-11-15-8-5-9-16(10-15)18(21)22/h5,8-10,13-14H,4,6-7,11-12H2,1-3H3,(H,19,20)(H,21,22)/p-1/t14-/m0/s1