(2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (2-methyl-4-oxo-3-phenoxy-chromen-7-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (2-methyl-4-oxo-3-phenoxy-1-benzopyran-7-yl) ester IUPAC Name: (2-methyl-4-oxo-3-phenoxychromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (4-keto-2-methyl-3-phenoxy-chromen-7-yl) ester Formula: C29H27NO7S MolecularWeight: 533.59218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H27NO7S/c1-19-27(36-21-11-7-4-8-12-21)26(31)23-14-13-22(17-25(23)35-19)37-28(32)24(15-16-38-2)30-29(33)34-18-20-9-5-3-6-10-20/h3-14,17,24H,15-16,18H2,1-2H3,(H,30,33)