methyl 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSCC(=O)N2CCCC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSCC(=O)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C20H21NO3S/c1-24-20(23)17-10-8-15(9-11-17)13-25-14-19(22)21-12-4-6-16-5-2-3-7-18(16)21/h2-3,5,7-11H,4,6,12-14H2,1H3