ethyl 3-(1,3-benzothiazol-2-yl)-7-(3-cyclopentylpropanoyloxy)-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(3-cyclopentylpropanoyloxy)-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(3-cyclopentylpropanoyloxy)-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-(3-cyclopentyl-1-oxopropoxy)-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(3-cyclopentylpropanoyloxy)-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-(3-cyclopentylpropanoyloxy)-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C27H25NO6S MolecularWeight: 491.5555

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCC3CCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCC3CCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H25NO6S/c1-2-32-27(31)25-23(26-28-19-9-5-6-10-21(19)35-26)24(30)18-13-12-17(15-20(18)34-25)33-22(29)14-11-16-7-3-4-8-16/h5-6,9-10,12-13,15-16H,2-4,7-8,11,14H2,1H3