ethyl 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-chromene-2-carboxylate CAS Name: 8-(1-azepanylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxochromene-2-carboxylate Traditional Name: 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H26N2O5S/c1-2-32-26(31)24-21(25-27-18-9-5-6-10-20(18)34-25)22(30)16-11-12-19(29)17(23(16)33-24)15-28-13-7-3-4-8-14-28/h5-6,9-12,29H,2-4,7-8,13-15H2,1H3