ethyl (2S)-2-acetamido-3-[4-(ethanoylsulfanylmethyl)phenyl]propanoate

Systemtic Name: ethyl (2S)-2-acetamido-3-[4-(ethanoylsulfanylmethyl)phenyl]propanoate Openeye Name: ethyl (2S)-2-acetamido-3-[4-(acetylsulfanylmethyl)phenyl]propanoate CAS Name: (2S)-2-acetamido-3-[4-[(acetylthio)methyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-acetamido-3-[4-(acetylsulfanylmethyl)phenyl]propanoate Traditional Name: (2S)-2-acetamido-3-[4-[(acetylthio)methyl]phenyl]propionic acid ethyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)CSC(=O)C)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)CSC(=O)C)NC(=O)C

InChI

InChI=1S/C16H21NO4S/c1-4-21-16(20)15(17-11(2)18)9-13-5-7-14(8-6-13)10-22-12(3)19/h5-8,15H,4,9-10H2,1-3H3,(H,17,18)/t15-/m0/s1