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

Systemtic Name: methyl 5-aminocarbonyl-2-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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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)OC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4S2/c1-4-25-17(12-8-6-5-7-9-12)23-24-20(25)30-10-13(26)22-18-14(19(28)29-3)11(2)15(31-18)16(21)27/h5-9H,4,10H2,1-3H3,(H2,21,27)(H,22,26)