ethyl 2-[2-(2,6-dimethoxyphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2,6-dimethoxyphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2,6-dimethoxybenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2,6-dimethoxyphenyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2,6-dimethoxybenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,6-dimethoxybenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H19N3O7S MolecularWeight: 445.44576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C20H19N3O7S/c1-4-30-17(24)11-22-13-9-8-12(23(26)27)10-16(13)31-20(22)21-19(25)18-14(28-2)6-5-7-15(18)29-3/h5-10H,4,11H2,1-3H3