N-[2-(2-azanylethylsulfanyl)ethyl]ethanamide; 3-oxidanyl-2-phenyl-propanoate

Systemtic Name: N-[2-(2-azanylethylsulfanyl)ethyl]ethanamide; 3-oxidanyl-2-phenyl-propanoate Openeye Name: N-[2-(2-aminoethylsulfanyl)ethyl]acetamide; 3-hydroxy-2-phenyl-propanoate CAS Name: N-[2-(2-aminoethylthio)ethyl]acetamide; 3-hydroxy-2-phenylpropanoate IUPAC Name: N-[2-(2-aminoethylsulfanyl)ethyl]acetamide; 3-hydroxy-2-phenylpropanoate Traditional Name: N-[2-(2-aminoethylthio)ethyl]acetamide; 3-hydroxy-2-phenyl-propionate Formula: C15H23N2O4S- MolecularWeight: 327.41912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSCCN.C1=CC=C(C=C1)C(CO)C(=O)[O-]

Isomeric SMILES

CC(=O)NCCSCCN.C1=CC=C(C=C1)C(CO)C(=O)[O-]

InChI

InChI=1S/C9H10O3.C6H14N2OS/c10-6-8(9(11)12)7-4-2-1-3-5-7;1-6(9)8-3-5-10-4-2-7/h1-5,8,10H,6H2,(H,11,12);2-5,7H2,1H3,(H,8,9)/p-1