ethyl 2-[2-(3,4-dimethoxyphenyl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(3,4-dimethoxyphenyl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3,4-dimethoxybenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3,4-dimethoxyphenyl)-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,4-dimethoxybenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(5-nitro-2-veratroylimino-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=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

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