methyl 3-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-5-nitro-4-oxidanyl-benzoate

Systemtic Name: methyl 3-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-5-nitro-4-oxidanyl-benzoate Openeye Name: methyl 3-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-4-hydroxy-5-nitro-benzoate CAS Name: 3-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-4-hydroxy-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-hydroxy-5-nitrobenzoate Traditional Name: 3-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-4-hydroxy-5-nitro-benzoic acid methyl ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=CC(=C3O)[N+](=O)[O-])C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=CC(=C3O)[N+](=O)[O-])C(=O)OC)OCC

InChI

InChI=1S/C21H20N2O7S/c1-4-29-17-7-6-12(10-18(17)30-5-2)20-22-15(11-31-20)14-8-13(21(25)28-3)9-16(19(14)24)23(26)27/h6-11,24H,4-5H2,1-3H3