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

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4S2/c1-5-29-20(28)16-12(2)17(13(3)26)31-19(16)22-15(27)11-30-21-24-23-18(25(21)4)14-9-7-6-8-10-14/h6-10H,5,11H2,1-4H3,(H,22,27)