propan-2-yl (2S)-2-(3-chloranyl-4-nitro-phenyl)-2-(1,3-dithiolan-2-ylideneamino)propanoate

Systemtic Name: propan-2-yl (2S)-2-(3-chloranyl-4-nitro-phenyl)-2-(1,3-dithiolan-2-ylideneamino)propanoate Openeye Name: isopropyl (2S)-2-(3-chloro-4-nitro-phenyl)-2-(1,3-dithiolan-2-ylideneamino)propanoate CAS Name: (2S)-2-(3-chloro-4-nitrophenyl)-2-(1,3-dithiolan-2-ylideneamino)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-(3-chloro-4-nitrophenyl)-2-(1,3-dithiolan-2-ylideneamino)propanoate Traditional Name: (2S)-2-(3-chloro-4-nitro-phenyl)-2-(1,3-dithiolan-2-ylideneamino)propionic acid isopropyl ester Formula: C15H17ClN2O4S2 MolecularWeight: 388.88948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])Cl)N=C2SCCS2

Isomeric SMILES

CC(C)OC(=O)[C@](C)(C1=CC(=C(C=C1)[N+](=O)[O-])Cl)N=C2SCCS2

InChI

InChI=1S/C15H17ClN2O4S2/c1-9(2)22-13(19)15(3,17-14-23-6-7-24-14)10-4-5-12(18(20)21)11(16)8-10/h4-5,8-9H,6-7H2,1-3H3/t15-/m0/s1