methyl 3-[4,7-dimethoxy-2-(2-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[4,7-dimethoxy-2-(2-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[4,7-dimethoxy-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[(2-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4,7-dimethoxy-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4,7-dimethoxy-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H19N3O7S MolecularWeight: 445.44576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])N2CCC(=O)OC

InChI

InChI=1S/C20H19N3O7S/c1-28-14-8-9-15(29-2)18-17(14)22(11-10-16(24)30-3)20(31-18)21-19(25)12-6-4-5-7-13(12)23(26)27/h4-9H,10-11H2,1-3H3