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

Systemtic Name: ethyl 2-(2-quinolin-2-ylsulfanylethanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[2-(2-quinolylsulfanyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-quinolin-2-ylsulfanylacetyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(2-quinolylthio)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H17N3O3S2/c1-2-27-20(26)14-7-9-16-17(11-14)29-21(23-16)24-18(25)12-28-19-10-8-13-5-3-4-6-15(13)22-19/h3-11H,2,12H2,1H3,(H,23,24,25)