ethyl 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]butanoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C15H22N6O3S2 MolecularWeight: 398.50358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)N2C(=NN=C2SCC)N

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)N2C(=NN=C2SCC)N

InChI

InChI=1S/C15H22N6O3S2/c1-5-9(21-13(16)19-20-15(21)25-7-3)11(22)18-14-17-8(4)10(26-14)12(23)24-6-2/h9H,5-7H2,1-4H3,(H2,16,19)(H,17,18,22)