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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 5-chloranyl-2-nitro-benzoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN3O4S/c1-11-2-5-13(6-3-11)20-18-21-14(10-27-18)9-26-17(23)15-8-12(19)4-7-16(15)22(24)25/h2-8,10H,9H2,1H3,(H,20,21)