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

Systemtic Name: butyl 2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C28H22N2O5S MolecularWeight: 498.54968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22N2O5S/c1-2-3-13-34-26(32)20-11-12-22-24(16-20)36-28(29-22)30-25(31)19-9-6-8-17(14-19)21-15-18-7-4-5-10-23(18)35-27(21)33/h4-12,14-16H,2-3,13H2,1H3,(H,29,30,31)