2-(2-azanyl-3-sulfanyl-propyl)-1-pyrrolidin-2-ylcarbonyl-3,4-dihydro-1H-isoquinoline-3-carbaldehyde

Systemtic Name: 2-(2-azanyl-3-sulfanyl-propyl)-1-pyrrolidin-2-ylcarbonyl-3,4-dihydro-1H-isoquinoline-3-carbaldehyde Openeye Name: 2-(2-amino-3-sulfanyl-propyl)-1-(pyrrolidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbaldehyde CAS Name: 2-(2-amino-3-mercaptopropyl)-1-[oxo(2-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxaldehyde IUPAC Name: 2-(2-amino-3-sulfanylpropyl)-1-(pyrrolidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbaldehyde Traditional Name: 2-(2-amino-3-mercapto-propyl)-1-prolyl-3,4-dihydro-1H-isoquinoline-3-carbaldehyde Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)C2C3=CC=CC=C3CC(N2CC(CS)N)C=O

Isomeric SMILES

C1CC(NC1)C(=O)C2C3=CC=CC=C3CC(N2CC(CS)N)C=O

InChI

InChI=1S/C18H25N3O2S/c19-13(11-24)9-21-14(10-22)8-12-4-1-2-5-15(12)17(21)18(23)16-6-3-7-20-16/h1-2,4-5,10,13-14,16-17,20,24H,3,6-9,11,19H2