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

Systemtic Name: ethyl 2-(2-methylpropylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(isobutylamino)-4-(2-pyridylsulfanylmethyl)thiazole-5-carboxylate CAS Name: 2-(2-methylpropylamino)-4-[(2-pyridinylthio)methyl]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methylpropylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate Traditional Name: 2-(isobutylamino)-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:

CCOC(=O)C1=C(N=C(S1)NCC(C)C)CSC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NCC(C)C)CSC2=CC=CC=N2

InChI

InChI=1S/C16H21N3O2S2/c1-4-21-15(20)14-12(10-22-13-7-5-6-8-17-13)19-16(23-14)18-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)