(phenylmethyl) 4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 4-(phenylthio)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 4-(phenylthio)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C23H21NO2S MolecularWeight: 375.48334

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2CN1C(=O)OCC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1C(C2=CC=CC=C2CN1C(=O)OCC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H21NO2S/c25-23(26-17-18-9-3-1-4-10-18)24-15-19-11-7-8-14-21(19)22(16-24)27-20-12-5-2-6-13-20/h1-14,22H,15-17H2