[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl] ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)N2CCCC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C21H23NO3S/c1-15-9-10-16(2)19(12-15)26-14-21(24)25-13-20(23)22-11-5-7-17-6-3-4-8-18(17)22/h3-4,6,8-10,12H,5,7,11,13-14H2,1-2H3