ethyl 5-aminocarbonyl-2-[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-2-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-2-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H21N5O4S2 MolecularWeight: 411.49904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C)SCC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCC

Isomeric SMILES

CCC1=NN=C(N1C)SCC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCC

InChI

InChI=1S/C16H21N5O4S2/c1-5-9-19-20-16(21(9)4)26-7-10(22)18-14-11(15(24)25-6-2)8(3)12(27-14)13(17)23/h5-7H2,1-4H3,(H2,17,23)(H,18,22)