tert-butyl N-[(E,3R)-1-phenylmethoxy-6-thiocyanato-hex-4-en-3-yl]carbamate

Systemtic Name: tert-butyl N-[(E,3R)-1-phenylmethoxy-6-thiocyanato-hex-4-en-3-yl]carbamate Openeye Name: tert-butyl N-[(E,1R)-1-(2-benzyloxyethyl)-4-thiocyanato-but-2-enyl]carbamate CAS Name: N-[(E,3R)-1-phenylmethoxy-6-thiocyanatohex-4-en-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,3R)-1-phenylmethoxy-6-thiocyanatohex-4-en-3-yl]carbamate Traditional Name: N-[(E,1R)-1-(2-benzoxyethyl)-4-thiocyanato-but-2-enyl]carbamic acid tert-butyl ester Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCOCC1=CC=CC=C1)C=CCSC#N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CCOCC1=CC=CC=C1)/C=C/CSC#N

InChI

InChI=1S/C19H26N2O3S/c1-19(2,3)24-18(22)21-17(10-7-13-25-15-20)11-12-23-14-16-8-5-4-6-9-16/h4-10,17H,11-14H2,1-3H3,(H,21,22)/b10-7+/t17-/m0/s1