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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C(=C(C(=O)O4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C(=C(C(=O)O4)C)C

InChI

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