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

Systemtic Name: methyl 4-[[(4R)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]butanoate CAS Name: 4-[[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]butanoate Traditional Name: 4-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]butyric acid methyl ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5S/c1-22-13-6-7-14(23-2)16-11(13)9-19(10-12(16)20)17(25)18-8-4-5-15(21)24-3/h6-7,12,20H,4-5,8-10H2,1-3H3,(H,18,25)/t12-/m0/s1