(2-azanyl-2-oxidanylidene-ethyl) (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanoate Openeye Name: (2-amino-2-oxo-ethyl) (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propionic acid (2-amino-2-keto-ethyl) ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)OCC(=O)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC(=O)N

InChI

InChI=1S/C19H20N2O7S/c20-18(22)12-28-19(23)15(10-13-4-2-1-3-5-13)21-29(24,25)14-6-7-16-17(11-14)27-9-8-26-16/h1-7,11,15,21H,8-10,12H2,(H2,20,22)/t15-/m0/s1