(4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (4-ethyl-7-methyl-2-oxo-chromen-5-yl) 3-(1H-indol-3-yl)-2-(p-tolylsulfonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid (4-ethyl-7-methyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4-ethyl-7-methyl-2-oxochromen-5-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(tosylamino)propionic acid (4-ethyl-2-keto-7-methyl-chromen-5-yl) ester Formula: C30H28N2O6S MolecularWeight: 544.61812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CC3=CNC4=CC=CC=C43)NS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CC3=CNC4=CC=CC=C43)NS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C30H28N2O6S/c1-4-20-16-28(33)37-26-13-19(3)14-27(29(20)26)38-30(34)25(15-21-17-31-24-8-6-5-7-23(21)24)32-39(35,36)22-11-9-18(2)10-12-22/h5-14,16-17,25,31-32H,4,15H2,1-3H3