(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 5-[2-(methylsulfonylamino)ethyl]thiophene-2-carboxylate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 5-[2-(methylsulfonylamino)ethyl]thiophene-2-carboxylate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate CAS Name: 5-[2-(methanesulfonamido)ethyl]-2-thiophenecarboxylic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate Traditional Name: 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C18H16BrNO6S2 MolecularWeight: 486.35674

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCC1=CC=C(S1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

CS(=O)(=O)NCCC1=CC=C(S1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C18H16BrNO6S2/c1-28(23,24)20-7-6-13-3-5-16(27-13)18(22)25-10-11-8-17(21)26-15-9-12(19)2-4-14(11)15/h2-5,8-9,20H,6-7,10H2,1H3