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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-oxidanyl-4-oxidanylidene-8-(pyrrolidin-1-ylmethyl)chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-8-(1-pyrrolidinylmethyl)-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)chromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-8-(pyrrolidinomethyl)chromene-2-carboxylic acid ethyl ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H22N2O5S/c1-2-30-24(29)22-19(23-25-16-7-3-4-8-18(16)32-23)20(28)14-9-10-17(27)15(21(14)31-22)13-26-11-5-6-12-26/h3-4,7-10,27H,2,5-6,11-13H2,1H3