1,3-benzothiazol-2-ylmethyl 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H23N3O3S/c1-2-3-14-26-19-10-6-4-8-16(19)24-18(23(26)28)12-13-22(27)29-15-21-25-17-9-5-7-11-20(17)30-21/h4-11H,2-3,12-15H2,1H3