(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H29NO7S MolecularWeight: 487.56526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

InChI

InChI=1S/C25H29NO7S/c1-5-31-19-6-8-20(9-7-19)34(29,30)26-11-10-24(27)32-15-18-13-25(28)33-23-12-17(4)21(16(2)3)14-22(18)23/h6-9,12-14,16,26H,5,10-11,15H2,1-4H3