ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(2R)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C29H33N2O5S+ MolecularWeight: 521.64772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C3C(=CC(=C2O)CC)C(=O)C(=C(O3)C(=O)OCC)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1CC2=C3C(=CC(=C2O)CC)C(=O)C(=C(O3)C(=O)OCC)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C29H32N2O5S/c1-4-17-15-19-25(33)23(28-30-21-12-7-8-13-22(21)37-28)27(29(34)35-6-3)36-26(19)20(24(17)32)16-31-14-10-9-11-18(31)5-2/h7-8,12-13,15,18,32H,4-6,9-11,14,16H2,1-3H3/p+1/t18-/m1/s1