ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[(4,8-dimethyl-2-quinolyl)thio]propanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H23N3O3S2 MolecularWeight: 465.58772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C24H23N3O3S2/c1-5-30-23(29)16-9-10-18-19(12-16)32-24(25-18)27-22(28)15(4)31-20-11-14(3)17-8-6-7-13(2)21(17)26-20/h6-12,15H,5H2,1-4H3,(H,25,27,28)