2-[(3-nitrososulfanyl-4-phenyl-butanoyl)amino]ethanoic acid

Systemtic Name: 2-[(3-nitrososulfanyl-4-phenyl-butanoyl)amino]ethanoic acid Openeye Name: 2-[(3-nitrososulfanyl-4-phenyl-butanoyl)amino]acetic acid CAS Name: 2-[[3-(nitrosothio)-1-oxo-4-phenylbutyl]amino]acetic acid IUPAC Name: 2-[(3-nitrososulfanyl-4-phenylbutanoyl)amino]acetic acid Traditional Name: 2-[[3-(nitrosothio)-4-phenyl-butanoyl]amino]acetic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)NCC(=O)O)SN=O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)NCC(=O)O)SN=O

InChI

InChI=1S/C12H14N2O4S/c15-11(13-8-12(16)17)7-10(19-14-18)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)(H,16,17)