(phenylmethyl) 2-(butanoylamino)-3-methyl-3-nitrososulfanyl-butanoate

Systemtic Name: (phenylmethyl) 2-(butanoylamino)-3-methyl-3-nitrososulfanyl-butanoate Openeye Name: benzyl 2-(butanoylamino)-3-methyl-3-nitrososulfanyl-butanoate CAS Name: 3-methyl-3-(nitrosothio)-2-(1-oxobutylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(butanoylamino)-3-methyl-3-nitrososulfanylbutanoate Traditional Name: 2-butyramido-3-methyl-3-(nitrosothio)butyric acid benzyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C(=O)OCC1=CC=CC=C1)C(C)(C)SN=O

Isomeric SMILES

CCCC(=O)NC(C(=O)OCC1=CC=CC=C1)C(C)(C)SN=O

InChI

InChI=1S/C16H22N2O4S/c1-4-8-13(19)17-14(16(2,3)23-18-21)15(20)22-11-12-9-6-5-7-10-12/h5-7,9-10,14H,4,8,11H2,1-3H3,(H,17,19)