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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-7-oxidanyl-4-oxidanylidene-6-(piperidin-1-ylmethyl)chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-4-oxo-6-(1-piperidylmethyl)chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-4-oxo-6-(1-piperidinylmethyl)-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-4-oxo-6-(piperidin-1-ylmethyl)chromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-8-methyl-6-(piperidinomethyl)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=CC(=C(C(=C2O1)C)O)CN3CCCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC(=C(C(=C2O1)C)O)CN3CCCCC3)C4=NC5=CC=CC=C5S4

InChI

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