(4-ethyl-2-oxidanylidene-chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: (4-ethyl-2-oxidanylidene-chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (4-ethyl-2-oxo-chromen-7-yl) 3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-ethyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(tosylamino)propionic acid (4-ethyl-2-keto-chromen-7-yl) ester Formula: C27H25NO6S MolecularWeight: 491.5555

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H25NO6S/c1-3-20-16-26(29)34-25-17-21(11-14-23(20)25)33-27(30)24(15-19-7-5-4-6-8-19)28-35(31,32)22-12-9-18(2)10-13-22/h4-14,16-17,24,28H,3,15H2,1-2H3