(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (8-methyl-2-oxo-4-propyl-chromen-7-yl) (2S)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (8-methyl-2-oxo-4-propylchromen-7-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (2-keto-8-methyl-4-propyl-chromen-7-yl) ester Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)[C@H](CCSC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H29NO6S/c1-4-8-19-15-23(28)33-24-17(2)22(12-11-20(19)24)32-25(29)21(13-14-34-3)27-26(30)31-16-18-9-6-5-7-10-18/h5-7,9-12,15,21H,4,8,13-14,16H2,1-3H3,(H,27,30)/t21-/m0/s1