methyl 4-[[2-[2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-[2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[2-(6-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=CC=C2C=CC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=CC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

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