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

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-2-[[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-2-[[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H27N5O4S2 MolecularWeight: 501.62158

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCC)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCC)CCC3=CC=CC=C3

InChI

InChI=1S/C23H27N5O4S2/c1-4-28-16(12-11-15-9-7-6-8-10-15)26-27-23(28)33-13-17(29)25-21-18(22(31)32-5-2)14(3)19(34-21)20(24)30/h6-10H,4-5,11-13H2,1-3H3,(H2,24,30)(H,25,29)