[2-[1,3-benzothiazol-2-yl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[1,3-benzothiazol-2-yl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[N-(1,3-benzothiazol-2-yl)-4-methyl-anilino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[N-(1,3-benzothiazol-2-yl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(1,3-benzothiazol-2-yl)-4-methylanilino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[N-(1,3-benzothiazol-2-yl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C23H18N4O5S MolecularWeight: 462.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)COC(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)COC(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O5S/c1-14-6-9-16(10-7-14)26(23-25-18-4-2-3-5-20(18)33-23)21(28)13-32-22(29)15-8-11-17(24)19(12-15)27(30)31/h2-12H,13,24H2,1H3