[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-methoxy-benzoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 3-ethoxy-4-methoxy-benzoate CAS Name: 3-ethoxy-4-methoxybenzoic acid [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate Traditional Name: 3-ethoxy-4-methoxy-benzoic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)OC

InChI

InChI=1S/C22H25NO7S/c1-4-29-21-13-17(8-10-20(21)28-2)22(25)30-14-19(24)16-7-9-18-15(12-16)6-5-11-23(18)31(3,26)27/h7-10,12-13H,4-6,11,14H2,1-3H3