ethyl 3-(benzenecarbonothioylamino)-2-ethanoyl-5-methyl-hexanoate

Systemtic Name: ethyl 3-(benzenecarbonothioylamino)-2-ethanoyl-5-methyl-hexanoate Openeye Name: ethyl 2-acetyl-3-(benzenecarbonothioylamino)-5-methyl-hexanoate CAS Name: 2-acetyl-3-(benzenecarbonothioylamino)-5-methylhexanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-(benzenecarbonothioylamino)-5-methylhexanoate Traditional Name: 2-acetyl-3-(benzenecarbonothioylamino)-5-methyl-hexanoic acid ethyl ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3S/c1-5-22-18(21)16(13(4)20)15(11-12(2)3)19-17(23)14-9-7-6-8-10-14/h6-10,12,15-16H,5,11H2,1-4H3,(H,19,23)