(2,2,4,4-tetramethylthietan-3-yl) 2-[(2-nitrophenyl)sulfanyl-phenyl-amino]ethanoate

Systemtic Name: (2,2,4,4-tetramethylthietan-3-yl) 2-[(2-nitrophenyl)sulfanyl-phenyl-amino]ethanoate Openeye Name: (2,2,4,4-tetramethylthietan-3-yl) 2-(N-(2-nitrophenyl)sulfanylanilino)acetate CAS Name: 2-(N-[(2-nitrophenyl)thio]anilino)acetic acid (2,2,4,4-tetramethyl-3-thietanyl) ester IUPAC Name: (2,2,4,4-tetramethylthietan-3-yl) 2-(N-(2-nitrophenyl)sulfanylanilino)acetate Traditional Name: 2-(N-[(2-nitrophenyl)thio]anilino)acetic acid (2,2,4,4-tetramethylthietan-3-yl) ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(S1)(C)C)OC(=O)CN(C2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1(C(C(S1)(C)C)OC(=O)CN(C2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H24N2O4S2/c1-20(2)19(21(3,4)29-20)27-18(24)14-22(15-10-6-5-7-11-15)28-17-13-9-8-12-16(17)23(25)26/h5-13,19H,14H2,1-4H3