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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-oxidanyl-4-oxidanylidene-8-(piperidin-1-ylmethyl)chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-8-(1-piperidylmethyl)chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-8-(1-piperidinylmethyl)-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-8-(piperidin-1-ylmethyl)chromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-8-(piperidinomethyl)chromene-2-carboxylic acid ethyl ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N2O5S/c1-2-31-25(30)23-20(24-26-17-8-4-5-9-19(17)33-24)21(29)15-10-11-18(28)16(22(15)32-23)14-27-12-6-3-7-13-27/h4-5,8-11,28H,2-3,6-7,12-14H2,1H3