methyl 1-[2-(2-methylphenyl)sulfanylethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate

Systemtic Name: methyl 1-[2-(2-methylphenyl)sulfanylethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate Openeye Name: methyl 1-[2-(o-tolylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylate CAS Name: 1-[2-[(2-methylphenyl)thio]-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-methylphenyl)sulfanylacetyl]-3,4-dihydro-2H-quinoline-5-carboxylate Traditional Name: 1-[2-(o-tolylthio)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CCCC3=C(C=CC=C32)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CCCC3=C(C=CC=C32)C(=O)OC

InChI

InChI=1S/C20H21NO3S/c1-14-7-3-4-11-18(14)25-13-19(22)21-12-6-9-15-16(20(23)24-2)8-5-10-17(15)21/h3-5,7-8,10-11H,6,9,12-13H2,1-2H3