methyl (3R)-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-(1,3,4-thiadiazol-2-ylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(1,3,4-thiadiazol-2-ylthio)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C15H15N3O3S2 MolecularWeight: 349.4279

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CSC3=NN=CS3

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CSC3=NN=CS3

InChI

InChI=1S/C15H15N3O3S2/c1-21-14(20)12-6-10-4-2-3-5-11(10)7-18(12)13(19)8-22-15-17-16-9-23-15/h2-5,9,12H,6-8H2,1H3/t12-/m1/s1