[2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-nitrobenzoate

Systemtic Name: [2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-nitrobenzoate Openeye Name: [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-(N-acetyl-3-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=NC(=CS2)COC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=NC(=CS2)COC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)C

InChI

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