methyl 2-[5,6-dimethoxy-2-(2-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,6-dimethoxy-2-(2-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5,6-dimethoxy-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethoxy-2-[(2-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5,6-dimethoxy-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,6-dimethoxy-2-(2-nitrobenzoyl)imino-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=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])S2)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])S2)CC(=O)OC)OC

InChI

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