3-chloranyl-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoic acid

Systemtic Name: 3-chloranyl-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-chloro-3-sulfanyl-propanoic acid CAS Name: 3-chloro-3-mercapto-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-chloro-2-(phenylmethoxycarbonylamino)-3-sulfanylpropanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-chloro-3-mercapto-propionic acid Formula: C11H12ClNO4S MolecularWeight: 289.73528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(C(S)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(C(S)Cl)C(=O)O

InChI

InChI=1S/C11H12ClNO4S/c12-9(18)8(10(14)15)13-11(16)17-6-7-4-2-1-3-5-7/h1-5,8-9,18H,6H2,(H,13,16)(H,14,15)