ethyl 2-(butylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-(butylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(butylamino)-4-(2-pyridylsulfanylmethyl)thiazole-5-carboxylate CAS Name: 2-(butylamino)-4-[(2-pyridinylthio)methyl]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(butylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate Traditional Name: 2-(butylamino)-4-[(2-pyridylthio)methyl]thiazole-5-carboxylic acid ethyl ester Formula: C16H21N3O2S2 MolecularWeight: 351.48684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=C(S1)C(=O)OCC)CSC2=CC=CC=N2

Isomeric SMILES

CCCCNC1=NC(=C(S1)C(=O)OCC)CSC2=CC=CC=N2

InChI

InChI=1S/C16H21N3O2S2/c1-3-5-9-18-16-19-12(14(23-16)15(20)21-4-2)11-22-13-8-6-7-10-17-13/h6-8,10H,3-5,9,11H2,1-2H3,(H,18,19)