1-[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 1-[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-2-(2-nitrophenoxy)ethanone CAS Name: 1-[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-2-(2-nitrophenoxy)ethanone Traditional Name: 1-[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-2-(2-nitrophenoxy)ethanone Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N=C2N(CCCS2)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N=C2N(CCCS2)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-14-8-9-15(2)16(12-14)21-20-22(10-5-11-28-20)19(24)13-27-18-7-4-3-6-17(18)23(25)26/h3-4,6-9,12H,5,10-11,13H2,1-2H3