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

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)-3-nitrobenzoic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzoic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C23H16N4O6S2 MolecularWeight: 508.52634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O6S2/c24-21(29)13-5-8-15(9-6-13)25-20(28)12-33-22(30)14-7-10-19(17(11-14)27(31)32)35-23-26-16-3-1-2-4-18(16)34-23/h1-11H,12H2,(H2,24,29)(H,25,28)