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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C24H23N3O3S2/c1-4-30-23(29)16-8-9-18-19(13-16)32-24(25-18)26-20(28)10-11-31-21-12-15(3)17-7-5-6-14(2)22(17)27-21/h5-9,12-13H,4,10-11H2,1-3H3,(H,25,26,28)