methyl 4-[[6-[(4,5-dicyano-2-nitro-phenyl)amino]-1,3-benzothiazol-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[6-[(4,5-dicyano-2-nitro-phenyl)amino]-1,3-benzothiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[6-(4,5-dicyano-2-nitro-anilino)-1,3-benzothiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[[[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[[6-(4,5-dicyano-2-nitro-anilino)-1,3-benzothiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C24H14N6O5S MolecularWeight: 498.47016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H14N6O5S/c1-35-23(32)14-4-2-13(3-5-14)22(31)29-24-28-18-7-6-17(10-21(18)36-24)27-19-8-15(11-25)16(12-26)9-20(19)30(33)34/h2-10,27H,1H3,(H,28,29,31)