ethyl 2-[2-(4-acetamidophenyl)sulfanylethanoyl-pentyl-amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(4-acetamidophenyl)sulfanylethanoyl-pentyl-amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-pentyl-amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(4-acetamidophenyl)thio]-1-oxoethyl]-pentylamino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-pentylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(4-acetamidophenyl)thio]acetyl]-amyl-amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)CSC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)CSC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C22H29N3O4S2/c1-5-7-8-13-25(22-23-15(3)20(31-22)21(28)29-6-2)19(27)14-30-18-11-9-17(10-12-18)24-16(4)26/h9-12H,5-8,13-14H2,1-4H3,(H,24,26)