methyl (3R)-2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(pyrrolidine-1-carbothioylthio)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CSC(=S)N3CCCC3

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CSC(=S)N3CCCC3

InChI

InChI=1S/C18H22N2O3S2/c1-23-17(22)15-10-13-6-2-3-7-14(13)11-20(15)16(21)12-25-18(24)19-8-4-5-9-19/h2-3,6-7,15H,4-5,8-12H2,1H3/t15-/m1/s1