methyl (2R)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)CN2CCC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H22N2O3S/c1-22-17(21)15-11-19(8-9-23-15)16(20)12-18-7-6-13-4-2-3-5-14(13)10-18/h2-5,15H,6-12H2,1H3/t15-/m1/s1