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

Systemtic Name: ethyl 2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[(4-methyl-2-quinolyl)sulfanyl]butanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[(4-methyl-2-quinolyl)thio]butanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)SC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)SC3=NC4=CC=CC=C4C(=C3)C

InChI

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