4-[(5S)-2-oxidanylidene-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]pyrrolidin-1-yl]butyl thiocyanate

Systemtic Name: 4-[(5S)-2-oxidanylidene-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]pyrrolidin-1-yl]butyl thiocyanate Openeye Name: 4-[(2S)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-5-oxo-pyrrolidin-1-yl]butyl thiocyanate CAS Name: thiocyanic acid 4-[(2S)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-5-oxo-1-pyrrolidinyl]butyl ester IUPAC Name: 4-[(2S)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]butyl thiocyanate Traditional Name: thiocyanic acid 4-[(2S)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-5-keto-pyrrolidino]butyl ester Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C=CC(CC2=CC=CC=C2)O)CCCCSC#N

Isomeric SMILES

C1CC(=O)N([C@@H]1/C=C/C(CC2=CC=CC=C2)O)CCCCSC#N

InChI

InChI=1S/C19H24N2O2S/c20-15-24-13-5-4-12-21-17(9-11-19(21)23)8-10-18(22)14-16-6-2-1-3-7-16/h1-3,6-8,10,17-18,22H,4-5,9,11-14H2/b10-8+/t17-,18?/m1/s1