methyl 1-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate

Systemtic Name: methyl 1-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate Openeye Name: methyl 1-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylate CAS Name: 1-[2-[(3,4-dichlorophenyl)methylthio]-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylate Traditional Name: 1-[2-[(3,4-dichlorobenzyl)thio]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester Formula: C20H19Cl2NO3S MolecularWeight: 424.34076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCCN(C2=CC=C1)C(=O)CSCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=C2CCCN(C2=CC=C1)C(=O)CSCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H19Cl2NO3S/c1-26-20(25)15-4-2-6-18-14(15)5-3-9-23(18)19(24)12-27-11-13-7-8-16(21)17(22)10-13/h2,4,6-8,10H,3,5,9,11-12H2,1H3