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

Systemtic Name: ethyl 2-(3-quinolin-2-ylsulfanylpropanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[3-(2-quinolylsulfanyl)propanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-3-(2-quinolinylthio)propyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-quinolin-2-ylsulfanylpropanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-(2-quinolylthio)propanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S2/c1-2-28-21(27)15-7-9-17-18(13-15)30-22(24-17)25-19(26)11-12-29-20-10-8-14-5-3-4-6-16(14)23-20/h3-10,13H,2,11-12H2,1H3,(H,24,25,26)