(4-dimethylaminophenyl) 3-methyl-3-nitrososulfanyl-2-(propanoylamino)butanoate

Systemtic Name: (4-dimethylaminophenyl) 3-methyl-3-nitrososulfanyl-2-(propanoylamino)butanoate Openeye Name: (4-dimethylaminophenyl) 3-methyl-3-nitrososulfanyl-2-(propanoylamino)butanoate CAS Name: 3-methyl-3-(nitrosothio)-2-(1-oxopropylamino)butanoic acid (4-dimethylaminophenyl) ester IUPAC Name: (4-dimethylaminophenyl) 3-methyl-3-nitrososulfanyl-2-(propanoylamino)butanoate Traditional Name: 3-methyl-3-(nitrosothio)-2-propionamido-butyric acid (4-dimethylaminophenyl) ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C(=O)OC1=CC=C(C=C1)N(C)C)C(C)(C)SN=O

Isomeric SMILES

CCC(=O)NC(C(=O)OC1=CC=C(C=C1)N(C)C)C(C)(C)SN=O

InChI

InChI=1S/C16H23N3O4S/c1-6-13(20)17-14(16(2,3)24-18-22)15(21)23-12-9-7-11(8-10-12)19(4)5/h7-10,14H,6H2,1-5H3,(H,17,20)