ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-7-oxidanyl-4-oxidanylidene-6-(pyrrolidin-1-ylmethyl)chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-7-oxidanyl-4-oxidanylidene-6-(pyrrolidin-1-ylmethyl)chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-4-oxo-6-(pyrrolidin-1-ylmethyl)chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-4-oxo-6-(1-pyrrolidinylmethyl)-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-4-oxo-6-(pyrrolidin-1-ylmethyl)chromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-8-methyl-6-(pyrrolidinomethyl)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=CC(=C(C(=C2O1)C)O)CN3CCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC(=C(C(=C2O1)C)O)CN3CCCC3)C4=NC5=CC=CC=C5S4

InChI

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