tert-butyl N-[4-[(Z)-1-formamido-7-pyridin-3-yl-hept-1-enyl]-1,3-thiazol-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[(Z)-1-formamido-7-pyridin-3-yl-hept-1-enyl]-1,3-thiazol-2-yl]carbamate Openeye Name: tert-butyl N-[4-[(Z)-1-formamido-7-(3-pyridyl)hept-1-enyl]thiazol-2-yl]carbamate CAS Name: N-[4-[(Z)-1-formamido-7-(3-pyridinyl)hept-1-enyl]-2-thiazolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(Z)-1-formamido-7-pyridin-3-ylhept-1-enyl]-1,3-thiazol-2-yl]carbamate Traditional Name: N-[4-[(Z)-1-formamido-7-(3-pyridyl)hept-1-enyl]thiazol-2-yl]carbamic acid tert-butyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC(=CS1)C(=CCCCCCC2=CN=CC=C2)NC=O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC(=CS1)/C(=C/CCCCCC2=CN=CC=C2)/NC=O

InChI

InChI=1S/C21H28N4O3S/c1-21(2,3)28-20(27)25-19-24-18(14-29-19)17(23-15-26)11-7-5-4-6-9-16-10-8-12-22-13-16/h8,10-15H,4-7,9H2,1-3H3,(H,23,26)(H,24,25,27)/b17-11-