methyl (2R,3S)-3-(benzenecarbonothioylamino)-2-ethanoyl-5-methyl-hexanoate

Systemtic Name: methyl (2R,3S)-3-(benzenecarbonothioylamino)-2-ethanoyl-5-methyl-hexanoate Openeye Name: methyl (2R,3S)-2-acetyl-3-(benzenecarbonothioylamino)-5-methyl-hexanoate CAS Name: (2R,3S)-2-acetyl-3-(benzenecarbonothioylamino)-5-methylhexanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-acetyl-3-(benzenecarbonothioylamino)-5-methylhexanoate Traditional Name: (2R,3S)-2-acetyl-3-(benzenecarbonothioylamino)-5-methyl-hexanoic acid methyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3S/c1-11(2)10-14(15(12(3)19)17(20)21-4)18-16(22)13-8-6-5-7-9-13/h5-9,11,14-15H,10H2,1-4H3,(H,18,22)/t14-,15-/m0/s1