methyl 4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-nitro-benzoate Openeye Name: methyl 4-[[2-[(4-methylphenoxy)methyl]thiazol-4-yl]methoxy]-3-nitro-benzoate CAS Name: 4-[[2-[(4-methylphenoxy)methyl]-4-thiazolyl]methoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-nitrobenzoate Traditional Name: 4-[[2-[(4-methylphenoxy)methyl]thiazol-4-yl]methoxy]-3-nitro-benzoic acid methyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6S/c1-13-3-6-16(7-4-13)27-11-19-21-15(12-29-19)10-28-18-8-5-14(20(23)26-2)9-17(18)22(24)25/h3-9,12H,10-11H2,1-2H3