but-3-enyl 3-methyl-3-nitrososulfanyl-2-(propanoylamino)butanoate

Systemtic Name: but-3-enyl 3-methyl-3-nitrososulfanyl-2-(propanoylamino)butanoate Openeye Name: but-3-enyl 3-methyl-3-nitrososulfanyl-2-(propanoylamino)butanoate CAS Name: 3-methyl-3-(nitrosothio)-2-(1-oxopropylamino)butanoic acid but-3-enyl ester IUPAC Name: but-3-enyl 3-methyl-3-nitrososulfanyl-2-(propanoylamino)butanoate Traditional Name: 3-methyl-3-(nitrosothio)-2-propionamido-butyric acid but-3-enyl ester Formula: C12H20N2O4S MolecularWeight: 288.3632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C(=O)OCCC=C)C(C)(C)SN=O

Isomeric SMILES

CCC(=O)NC(C(=O)OCCC=C)C(C)(C)SN=O

InChI

InChI=1S/C12H20N2O4S/c1-5-7-8-18-11(16)10(13-9(15)6-2)12(3,4)19-14-17/h5,10H,1,6-8H2,2-4H3,(H,13,15)