2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-nitrophenyl)sulfanyl-amino]ethyl hydrogen carbonate

Systemtic Name: 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-nitrophenyl)sulfanyl-amino]ethyl hydrogen carbonate Openeye Name: 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-nitrophenyl)sulfanyl-amino]ethyl hydrogen carbonate CAS Name: carbonic acid 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-[(2-nitrophenyl)thio]amino]ethyl ester IUPAC Name: 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-nitrophenyl)sulfanylamino]ethyl hydrogen carbonate Traditional Name: carbonic acid 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-[(2-nitrophenyl)thio]amino]ethyl ester Formula: C15H20N2O7S MolecularWeight: 372.3935

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)CN(CCOC(=O)O)SC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1(OCC(O1)CN(CCOC(=O)O)SC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C15H20N2O7S/c1-15(2)23-10-11(24-15)9-16(7-8-22-14(18)19)25-13-6-4-3-5-12(13)17(20)21/h3-6,11H,7-10H2,1-2H3,(H,18,19)