(6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) (2S)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)propanoic acid (6-chloro-3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)propionic acid (6-chloro-2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C22H20ClNO6 MolecularWeight: 429.8503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@H](C)NC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C22H20ClNO6/c1-12-13(2)20(25)29-18-10-19(17(23)9-16(12)18)30-21(26)14(3)24-22(27)28-11-15-7-5-4-6-8-15/h4-10,14H,11H2,1-3H3,(H,24,27)/t14-/m0/s1