[2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-(4-methoxyanilino)thiazol-4-yl]methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-(4-methoxyanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-(p-anisidino)thiazol-4-yl]methyl ester Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)NC3=CC=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)NC3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C21H21N3O7S/c1-4-30-19-10-17(24(26)27)16(9-18(19)29-3)20(25)31-11-14-12-32-21(23-14)22-13-5-7-15(28-2)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,22,23)