[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)-3-nitrobenzoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzoic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C24H19N3O5S2 MolecularWeight: 493.55476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C24H19N3O5S2/c1-14-6-5-7-15(2)22(14)26-21(28)13-32-23(29)16-10-11-20(18(12-16)27(30)31)34-24-25-17-8-3-4-9-19(17)33-24/h3-12H,13H2,1-2H3,(H,26,28)