(2S)-1-[4-(5,6-dimethoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenoxy]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[4-(5,6-dimethoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenoxy]carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[4-(7-isopropoxy-5,6-dimethoxy-4-oxo-chromen-2-yl)sulfanylphenoxy]carbonylpyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[4-[(5,6-dimethoxy-4-oxo-7-propan-2-yloxy-1-benzopyran-2-yl)thio]phenoxy]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[4-(5,6-dimethoxy-4-oxo-7-propan-2-yloxychromen-2-yl)sulfanylphenoxy]carbonylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[4-[(7-isopropoxy-4-keto-5,6-dimethoxy-chromen-2-yl)thio]phenoxy]carbonylproline Formula: C26H27NO9S MolecularWeight: 529.55888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=C2C(=C1)OC(=CC2=O)SC3=CC=C(C=C3)OC(=O)N4CCCC4C(=O)O)OC)OC

Isomeric SMILES

CC(C)OC1=C(C(=C2C(=C1)OC(=CC2=O)SC3=CC=C(C=C3)OC(=O)N4CCC[C@H]4C(=O)O)OC)OC

InChI

InChI=1S/C26H27NO9S/c1-14(2)34-20-13-19-22(24(33-4)23(20)32-3)18(28)12-21(36-19)37-16-9-7-15(8-10-16)35-26(31)27-11-5-6-17(27)25(29)30/h7-10,12-14,17H,5-6,11H2,1-4H3,(H,29,30)/t17-/m0/s1