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

Systemtic Name: ethyl 5-methyl-2-[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CSC2=NN=C(N2C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CSC2=NN=C(N2C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S2/c1-4-28-20(27)16-12-14(2)30-19(16)22-18(26)13-29-21-24-23-17(25(21)3)11-10-15-8-6-5-7-9-15/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,26)