2-[[6-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(4,5-dimethoxy-2-nitro-benzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(4,5-dimethoxy-2-nitro-benzoyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C20H19N3O7S2 MolecularWeight: 477.51076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H19N3O7S2/c1-11(24)30-6-7-31-20-22-14-5-4-12(8-18(14)32-20)21-19(25)13-9-16(28-2)17(29-3)10-15(13)23(26)27/h4-5,8-10H,6-7H2,1-3H3,(H,21,25)