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

Systemtic Name: ethyl 2-[3-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[3-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]propanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[3-[(8-methoxy-4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(8-methoxy-4-methylquinolin-2-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-[(8-methoxy-4-methyl-2-quinolyl)thio]propanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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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=C4OC)C(=C3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=C(C=CC=C4OC)C(=C3)C

InChI

InChI=1S/C24H23N3O4S2/c1-4-31-23(29)15-8-9-17-19(13-15)33-24(25-17)26-20(28)10-11-32-21-12-14(2)16-6-5-7-18(30-3)22(16)27-21/h5-9,12-13H,4,10-11H2,1-3H3,(H,25,26,28)