methyl 6-[[(4R)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[(4R)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]hexanoate CAS Name: 6-[[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]hexanoate Traditional Name: 6-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]hexanoic acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

COC1=C2CN(C[C@@H](C2=C(C=C1)OC)O)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C19H28N2O5S/c1-24-15-8-9-16(25-2)18-13(15)11-21(12-14(18)22)19(27)20-10-6-4-5-7-17(23)26-3/h8-9,14,22H,4-7,10-12H2,1-3H3,(H,20,27)/t14-/m0/s1