methyl 3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-[[(1S)-1,2-dimethylpropyl]amino]-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)CSCC1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-11(2)12(3)17-15(18)10-21-9-13-6-5-7-14(8-13)16(19)20-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)/t12-/m0/s1