4-[[(6S)-3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate

Systemtic Name: 4-[[(6S)-3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: 4-[[(6S)-3-butyl-2-butylimino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 4-[[[(6S)-3-butyl-2-butylimino-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoate IUPAC Name: 4-[[(6S)-3-butyl-2-butylimino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 4-[[(6S)-3-butyl-2-butylimino-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoate Formula: C20H26N3O4S- MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C1N(C(=O)CC(S1)C(=O)NC2=CC=C(C=C2)C(=O)[O-])CCCC

Isomeric SMILES

CCCCN=C1N(C(=O)C[C@H](S1)C(=O)NC2=CC=C(C=C2)C(=O)[O-])CCCC

InChI

InChI=1S/C20H27N3O4S/c1-3-5-11-21-20-23(12-6-4-2)17(24)13-16(28-20)18(25)22-15-9-7-14(8-10-15)19(26)27/h7-10,16H,3-6,11-13H2,1-2H3,(H,22,25)(H,26,27)/p-1/t16-/m0/s1