[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H21N3O6S/c1-29-19-8-4-13(10-20(19)30-2)21-24-16(12-32-21)11-31-22(26)14-3-7-17(23-15-5-6-15)18(9-14)25(27)28/h3-4,7-10,12,15,23H,5-6,11H2,1-2H3