methyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzoyl]benzoic acid methyl ester Formula: C22H14N2O5S2 MolecularWeight: 450.48696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O5S2/c1-29-21(26)15-7-3-2-6-14(15)20(25)13-10-11-19(17(12-13)24(27)28)31-22-23-16-8-4-5-9-18(16)30-22/h2-12H,1H3