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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H19N3O3S2/c1-3-28-21(27)15-8-10-17-18(12-15)30-22(24-17)25-20(26)13(2)29-19-11-9-14-6-4-5-7-16(14)23-19/h4-13H,3H2,1-2H3,(H,24,25,26)