methyl 3-[2-[3-(1,3-benzothiazol-6-ylcarbonylamino)phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-(1,3-benzothiazol-6-ylcarbonylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(1,3-benzothiazole-6-carbonylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(1,3-benzothiazole-6-carbonylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(1,3-benzothiazole-6-carbonylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C24H16N2O3S MolecularWeight: 412.46044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C24H16N2O3S/c1-29-24(28)19-6-2-4-16(12-19)8-9-17-5-3-7-20(13-17)26-23(27)18-10-11-21-22(14-18)30-15-25-21/h2-7,10-15H,1H3,(H,26,27)