ethyl 2-[2-(3-ethylquinolin-2-yl)sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(3-ethylquinolin-2-yl)sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-[(3-ethyl-2-quinolyl)sulfanyl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(3-ethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-ethylquinolin-2-yl)sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(3-ethyl-2-quinolyl)thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=NC(=C(S3)C(=O)OCC)C

Isomeric SMILES

CCC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=NC(=C(S3)C(=O)OCC)C

InChI

InChI=1S/C20H21N3O3S2/c1-4-13-10-14-8-6-7-9-15(14)22-18(13)27-11-16(24)23-20-21-12(3)17(28-20)19(25)26-5-2/h6-10H,4-5,11H2,1-3H3,(H,21,23,24)