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

Systemtic Name: ethyl 5-ethyl-2-[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-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-ethyl-2-[[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2C)CCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2C)CCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H26N4O3S2/c1-4-16-13-17(21(28)29-5-2)20(31-16)23-19(27)14-30-22-25-24-18(26(22)3)12-11-15-9-7-6-8-10-15/h6-10,13H,4-5,11-12,14H2,1-3H3,(H,23,27)