ethyl 2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[3-(2-oxochromen-3-yl)benzoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[oxo-[3-(2-oxo-1-benzopyran-3-yl)phenyl]methyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(2-oxochromen-3-yl)benzoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[3-(2-ketochromen-3-yl)benzoyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H18N2O5S MolecularWeight: 470.49652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C26H18N2O5S/c1-2-32-24(30)18-10-11-20-22(14-18)34-26(27-20)28-23(29)17-8-5-7-15(12-17)19-13-16-6-3-4-9-21(16)33-25(19)31/h3-14H,2H2,1H3,(H,27,28,29)