(6-chloranyl-4-ethyl-2-oxidanylidene-chromen-7-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (6-chloranyl-4-ethyl-2-oxidanylidene-chromen-7-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (6-chloro-4-ethyl-2-oxo-chromen-7-yl) (2S)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)propanoic acid (6-chloro-4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-ethyl-2-oxochromen-7-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)propionic acid (6-chloro-4-ethyl-2-keto-chromen-7-yl) ester Formula: C22H20ClNO6 MolecularWeight: 429.8503

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@H](C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20ClNO6/c1-3-15-9-20(25)29-18-11-19(17(23)10-16(15)18)30-21(26)13(2)24-22(27)28-12-14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,24,27)/t13-/m0/s1