ethyl 2-(2-quinolin-2-ylsulfanylbutanoylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(2-quinolin-2-ylsulfanylbutanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(2-quinolylsulfanyl)butanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-2-(2-quinolinylthio)butyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-quinolin-2-ylsulfanylbutanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(2-quinolylthio)butanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S2/c1-3-18(30-20-12-10-14-7-5-6-8-16(14)24-20)21(27)26-23-25-17-11-9-15(13-19(17)31-23)22(28)29-4-2/h5-13,18H,3-4H2,1-2H3,(H,25,26,27)