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

Systemtic Name: [2-[ethanoyl-(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 2-chloranyl-5-nitro-benzoate Openeye Name: [2-(N-acetyl-2-methoxy-anilino)thiazol-4-yl]methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-(N-acetyl-2-methoxyanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-(N-acetyl-2-methoxy-anilino)thiazol-4-yl]methyl ester Formula: C20H16ClN3O6S MolecularWeight: 461.87554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1OC)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1OC)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H16ClN3O6S/c1-12(25)23(17-5-3-4-6-18(17)29-2)20-22-13(11-31-20)10-30-19(26)15-9-14(24(27)28)7-8-16(15)21/h3-9,11H,10H2,1-2H3