(4-butyl-2-oxidanylidene-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3

InChI

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