ethyl 2-[5,7-dimethyl-2-(2-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,7-dimethyl-2-(2-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5,7-dimethyl-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-[(2-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,7-dimethyl-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,7-dimethyl-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-])C)C

InChI

InChI=1S/C20H19N3O5S/c1-4-28-17(24)11-22-16-10-12(2)9-13(3)18(16)29-20(22)21-19(25)14-7-5-6-8-15(14)23(26)27/h5-10H,4,11H2,1-3H3