methyl 4-[[4-[2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-[2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[2-(5-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[2-(5-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]methyl]benzoic acid methyl ester Formula: C24H18N2O5S MolecularWeight: 446.47512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=CC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=CC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H18N2O5S/c1-30-24(27)18-7-2-17(3-8-18)15-31-20-10-4-16(5-11-20)6-13-23-25-21-14-19(26(28)29)9-12-22(21)32-23/h2-14H,15H2,1H3