(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CN3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CN3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22N2O7S/c1-2-14-3-4-17-15(10-20(24)30-19(17)9-14)13-29-21(25)18-11-16(12-22-18)31(26,27)23-5-7-28-8-6-23/h3-4,9-12,22H,2,5-8,13H2,1H3