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

Systemtic Name: [2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl 3-methyl-4-nitro-benzoate Openeye Name: [2-(N-acetylanilino)thiazol-4-yl]methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(N-acetylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(N-acetylanilino)thiazol-4-yl]methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5S/c1-13-10-15(8-9-18(13)23(26)27)19(25)28-11-16-12-29-20(21-16)22(14(2)24)17-6-4-3-5-7-17/h3-10,12H,11H2,1-2H3