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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-[(2-ethylpiperidin-1-yl)methyl]-8-methyl-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-[(2-ethyl-1-piperidyl)methyl]-7-hydroxy-8-methyl-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-6-[(2-ethyl-1-piperidinyl)methyl]-7-hydroxy-8-methyl-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-8-methyl-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-[(2-ethylpiperidino)methyl]-7-hydroxy-4-keto-8-methyl-chromene-2-carboxylic acid ethyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=C(C(=C3C(=C2)C(=O)C(=C(O3)C(=O)OCC)C4=NC5=CC=CC=C5S4)C)O

Isomeric SMILES

CCC1CCCCN1CC2=C(C(=C3C(=C2)C(=O)C(=C(O3)C(=O)OCC)C4=NC5=CC=CC=C5S4)C)O

InChI

InChI=1S/C28H30N2O5S/c1-4-18-10-8-9-13-30(18)15-17-14-19-24(32)22(27-29-20-11-6-7-12-21(20)36-27)26(28(33)34-5-2)35-25(19)16(3)23(17)31/h6-7,11-12,14,18,31H,4-5,8-10,13,15H2,1-3H3