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

Systemtic Name: [2-[ethanoyl-(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 3-methyl-4-nitro-benzoate Openeye Name: [2-(N-acetyl-2-methoxy-anilino)thiazol-4-yl]methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(N-acetyl-2-methoxyanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(N-acetyl-2-methoxy-anilino)thiazol-4-yl]methyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CSC(=N2)N(C3=CC=CC=C3OC)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CSC(=N2)N(C3=CC=CC=C3OC)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c1-13-10-15(8-9-17(13)24(27)28)20(26)30-11-16-12-31-21(22-16)23(14(2)25)18-6-4-5-7-19(18)29-3/h4-10,12H,11H2,1-3H3