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

Systemtic Name: ethyl 2-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CSC2=NNC(=N2)C3CC3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CSC2=NNC(=N2)C3CC3)C

InChI

InChI=1S/C17H22N4O3S2/c1-4-11-9(3)26-15(13(11)16(23)24-5-2)18-12(22)8-25-17-19-14(20-21-17)10-6-7-10/h10H,4-8H2,1-3H3,(H,18,22)(H,19,20,21)