ethyl 2-[2-(3-ethyl-7-methyl-quinolin-2-yl)sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(3-ethyl-7-methyl-quinolin-2-yl)sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-[(3-ethyl-7-methyl-2-quinolyl)sulfanyl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(3-ethyl-7-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(3-ethyl-7-methyl-2-quinolyl)thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=C(C=CC2=C1)C)SCC(=O)NC3=NC(=C(S3)C(=O)OCC)C

Isomeric SMILES

CCC1=C(N=C2C=C(C=CC2=C1)C)SCC(=O)NC3=NC(=C(S3)C(=O)OCC)C

InChI

InChI=1S/C21H23N3O3S2/c1-5-14-10-15-8-7-12(3)9-16(15)23-19(14)28-11-17(25)24-21-22-13(4)18(29-21)20(26)27-6-2/h7-10H,5-6,11H2,1-4H3,(H,22,24,25)