ethyl 3-[[4-(5,6-dimethoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenoxy]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[4-(5,6-dimethoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenoxy]carbonylamino]propanoate Openeye Name: ethyl 3-[[4-(7-isopropoxy-5,6-dimethoxy-4-oxo-chromen-2-yl)sulfanylphenoxy]carbonylamino]propanoate CAS Name: 3-[[[4-[(5,6-dimethoxy-4-oxo-7-propan-2-yloxy-1-benzopyran-2-yl)thio]phenoxy]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(5,6-dimethoxy-4-oxo-7-propan-2-yloxychromen-2-yl)sulfanylphenoxy]carbonylamino]propanoate Traditional Name: 3-[[4-[(7-isopropoxy-4-keto-5,6-dimethoxy-chromen-2-yl)thio]phenoxy]carbonylamino]propionic acid ethyl ester Formula: C26H29NO9S MolecularWeight: 531.57476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)OC1=CC=C(C=C1)SC2=CC(=O)C3=C(C(=C(C=C3O2)OC(C)C)OC)OC

Isomeric SMILES

CCOC(=O)CCNC(=O)OC1=CC=C(C=C1)SC2=CC(=O)C3=C(C(=C(C=C3O2)OC(C)C)OC)OC

InChI

InChI=1S/C26H29NO9S/c1-6-33-21(29)11-12-27-26(30)35-16-7-9-17(10-8-16)37-22-13-18(28)23-19(36-22)14-20(34-15(2)3)24(31-4)25(23)32-5/h7-10,13-15H,6,11-12H2,1-5H3,(H,27,30)