[2-[ethanoyl-(4-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-[ethanoyl-(4-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-azanyl-5-nitro-benzoate Openeye Name: [2-(N-acetyl-4-ethyl-anilino)thiazol-4-yl]methyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-(N-acetyl-4-ethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-(N-acetyl-4-ethyl-anilino)thiazol-4-yl]methyl ester Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N)C(=O)C

InChI

InChI=1S/C21H20N4O5S/c1-3-14-4-6-16(7-5-14)24(13(2)26)21-23-15(12-31-21)11-30-20(27)18-10-17(25(28)29)8-9-19(18)22/h4-10,12H,3,11,22H2,1-2H3