2-[(3-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-4-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(3-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-4-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(3-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-4-yl)sulfanyl]acetic acid CAS Name: 2-[[3-cyano-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-4-yl]thio]acetic acid IUPAC Name: 2-[(3-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-4-yl)sulfanyl]acetic acid Traditional Name: 2-[(3-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-4-yl)thio]acetic acid Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(N=C2N3CCOCC3)C#N)SCC(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(N=C2N3CCOCC3)C#N)SCC(=O)O

InChI

InChI=1S/C16H19N3O3S/c17-9-13-15(23-10-14(20)21)11-3-1-2-4-12(11)16(18-13)19-5-7-22-8-6-19/h1-8,10H2,(H,20,21)