ethyl 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-8-methyl-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-8-methyl-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-4-oxo-chromene-2-carboxylate CAS Name: 6-(1-azepanylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-4-oxochromene-2-carboxylate Traditional Name: 6-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-8-methyl-chromene-2-carboxylic acid ethyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC(=C(C(=C2O1)C)O)CN3CCCCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC(=C(C(=C2O1)C)O)CN3CCCCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H28N2O5S/c1-3-33-27(32)25-21(26-28-19-10-6-7-11-20(19)35-26)23(31)18-14-17(22(30)16(2)24(18)34-25)15-29-12-8-4-5-9-13-29/h6-7,10-11,14,30H,3-5,8-9,12-13,15H2,1-2H3