(phenylmethyl) 3-tert-butyl-2-(4-nitrophenyl)imino-1,3-thiazinane-6-carboxylate

Systemtic Name: (phenylmethyl) 3-tert-butyl-2-(4-nitrophenyl)imino-1,3-thiazinane-6-carboxylate Openeye Name: benzyl 3-tert-butyl-2-(4-nitrophenyl)imino-1,3-thiazinane-6-carboxylate CAS Name: 3-tert-butyl-2-(4-nitrophenyl)imino-1,3-thiazinane-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-tert-butyl-2-(4-nitrophenyl)imino-1,3-thiazinane-6-carboxylate Traditional Name: 3-tert-butyl-2-(4-nitrophenyl)imino-1,3-thiazinane-6-carboxylic acid benzyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCC(SC1=NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N1CCC(SC1=NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4S/c1-22(2,3)24-14-13-19(20(26)29-15-16-7-5-4-6-8-16)30-21(24)23-17-9-11-18(12-10-17)25(27)28/h4-12,19H,13-15H2,1-3H3