(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C

InChI

InChI=1S/C22H21NO6S/c1-3-14-4-6-18-17(12-21(24)29-20(18)10-14)13-28-22(25)16-5-7-19-15(11-16)8-9-23(19)30(2,26)27/h4-7,10-12H,3,8-9,13H2,1-2H3