(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C22H19NO6S/c1-3-11-23-30(26,27)18-8-6-16(7-9-18)22(25)28-14-17-13-21(24)29-20-12-15(4-2)5-10-19(17)20/h1,5-10,12-13,23H,4,11,14H2,2H3