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

Systemtic Name: ethyl 2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[3-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[3-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-[(4-methyl-2-quinolyl)thio]propanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S2/c1-3-29-22(28)15-8-9-18-19(13-15)31-23(25-18)26-20(27)10-11-30-21-12-14(2)16-6-4-5-7-17(16)24-21/h4-9,12-13H,3,10-11H2,1-2H3,(H,25,26,27)