(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 2-oxidanylidenechromene-3-carboxylate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C21H16N2O4S MolecularWeight: 392.42774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C21H16N2O4S/c24-19(15-11-13-5-1-2-6-17(13)27-20(15)25)26-14-7-8-16-18(12-14)28-21(22-16)23-9-3-4-10-23/h1-2,5-8,11-12H,3-4,9-10H2