(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H29NO5S MolecularWeight: 455.56646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCCC3=C2C=CC(=C3)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCCC3=C2C=CC(=C3)OC

InChI

InChI=1S/C25H29NO5S/c1-25(2,3)22(27)15-31-24(29)19-9-5-6-10-21(19)32-16-23(28)26-13-7-8-17-14-18(30-4)11-12-20(17)26/h5-6,9-12,14H,7-8,13,15-16H2,1-4H3