[2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 4-bromanyl-3-nitro-benzoate Openeye Name: [2-[2-(2-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-[2-(2-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-[2-keto-2-(o-toluidino)ethyl]thiazol-4-yl]methyl ester Formula: C20H16BrN3O5S MolecularWeight: 490.32714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H16BrN3O5S/c1-12-4-2-3-5-16(12)23-18(25)9-19-22-14(11-30-19)10-29-20(26)13-6-7-15(21)17(8-13)24(27)28/h2-8,11H,9-10H2,1H3,(H,23,25)