2,2,2-tris(chloranyl)ethyl (2S)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl (2S)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate Openeye Name: 2,2,2-trichloroethyl (2S)-2-(benzyloxycarbonylamino)-3-sulfanyl-propanoate CAS Name: (2S)-3-mercapto-2-(phenylmethoxycarbonylamino)propanoic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl (2S)-2-(phenylmethoxycarbonylamino)-3-sulfanylpropanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-mercapto-propionic acid 2,2,2-trichloroethyl ester Formula: C13H14Cl3NO4S MolecularWeight: 386.67856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CS)C(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@H](CS)C(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C13H14Cl3NO4S/c14-13(15,16)8-21-11(18)10(7-22)17-12(19)20-6-9-4-2-1-3-5-9/h1-5,10,22H,6-8H2,(H,17,19)/t10-/m1/s1