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

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic 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] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C21H23NO5S/c1-3-15-6-8-16(9-7-15)21(24)27-14-20(23)18-10-11-19-17(13-18)5-4-12-22(19)28(2,25)26/h6-11,13H,3-5,12,14H2,1-2H3