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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H22ClNO3S MolecularWeight: 451.96508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClNO3S/c26-22-9-11-23(12-10-22)31-17-18-5-7-20(8-6-18)25(29)30-16-24(28)27-14-13-19-3-1-2-4-21(19)15-27/h1-12H,13-17H2