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

Systemtic Name: methyl 2-[2-(2,6-dimethoxyphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H17N3O7S MolecularWeight: 431.41918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C19H17N3O7S/c1-27-13-5-4-6-14(28-2)17(13)18(24)20-19-21(10-16(23)29-3)12-8-7-11(22(25)26)9-15(12)30-19/h4-9H,10H2,1-3H3