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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-[[(2R)-2-ethylpiperidin-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-[[(2R)-2-ethyl-1-piperidyl]methyl]-7-hydroxy-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2R)-2-ethyl-1-piperidinyl]methyl]-7-hydroxy-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-[[(2R)-2-ethylpiperidin-1-yl]methyl]-7-hydroxy-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2R)-2-ethylpiperidino]methyl]-7-hydroxy-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(=O)OCC)O

Isomeric SMILES

CC[C@@H]1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(=O)OCC)O

InChI

InChI=1S/C27H28N2O5S/c1-3-16-9-7-8-14-29(16)15-18-20(30)13-12-17-23(31)22(25(34-24(17)18)27(32)33-4-2)26-28-19-10-5-6-11-21(19)35-26/h5-6,10-13,16,30H,3-4,7-9,14-15H2,1-2H3/t16-/m1/s1