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

Systemtic Name: (6-chloranyl-4-ethyl-2-oxidanylidene-chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (6-chloro-4-ethyl-2-oxo-chromen-7-yl) 3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (6-chloro-4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-ethyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(tosylamino)propionic acid (6-chloro-4-ethyl-2-keto-chromen-7-yl) ester Formula: C27H24ClNO6S MolecularWeight: 526.00056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H24ClNO6S/c1-3-19-14-26(30)34-24-16-25(22(28)15-21(19)24)35-27(31)23(13-18-7-5-4-6-8-18)29-36(32,33)20-11-9-17(2)10-12-20/h4-12,14-16,23,29H,3,13H2,1-2H3