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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H18ClNO6S MolecularWeight: 459.89942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C)Cl

InChI

InChI=1S/C22H18ClNO6S/c1-3-9-24-31(27,28)17-7-5-15(6-8-17)22(26)29-13-16-11-21(25)30-20-10-14(4-2)19(23)12-18(16)20/h1,5-8,10-12,24H,4,9,13H2,2H3