3-pyridin-3-ylpropyl 2-thiophen-2-ylcarbonylsulfinyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 2-thiophen-2-ylcarbonylsulfinyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 3-(3-pyridyl)propyl 2-(thiophene-2-carbonylsulfinyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[oxo(thiophen-2-yl)methyl]sulfinyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 2-(thiophene-2-carbonylsulfinyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-thenoylsulfinyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)C(=O)C3=CC=CS3)C(=O)OCCCC4=CN=CC=C4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)C(=O)C3=CC=CS3)C(=O)OCCCC4=CN=CC=C4

InChI

InChI=1S/C23H22N2O4S2/c26-22(29-12-4-7-17-6-3-11-24-15-17)20-14-18-8-1-2-9-19(18)16-25(20)31(28)23(27)21-10-5-13-30-21/h1-3,5-6,8-11,13,15,20H,4,7,12,14,16H2