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

Systemtic Name: ethyl 2-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-[(4-methyl-2-quinolyl)thio]acetyl]amino]-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)CSC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

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

InChI

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