methyl 1-[3-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylate

Systemtic Name: methyl 1-[3-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylate Openeye Name: methyl 1-[3-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylate CAS Name: 1-[[3-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylate Traditional Name: 1-[3-[[(4-chlorophenyl)thio]methyl]benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester Formula: C25H22ClNO3S MolecularWeight: 451.96508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCCN(C2=CC=C1)C(=O)C3=CC(=CC=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=C2CCCN(C2=CC=C1)C(=O)C3=CC(=CC=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClNO3S/c1-30-25(29)22-7-3-9-23-21(22)8-4-14-27(23)24(28)18-6-2-5-17(15-18)16-31-20-12-10-19(26)11-13-20/h2-3,5-7,9-13,15H,4,8,14,16H2,1H3