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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2CC)C3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2CC)C3=CC=CC=C3)C

InChI

InChI=1S/C21H24N4O3S2/c1-5-15-13(3)30-19(17(15)20(27)28-4)22-16(26)12-29-21-24-23-18(25(21)6-2)14-10-8-7-9-11-14/h7-11H,5-6,12H2,1-4H3,(H,22,26)