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

Systemtic Name: ethyl 2-[2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-cyclopropyl-5-oxo-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-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CSC2=NNC(=O)N2C3CC3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CSC2=NNC(=O)N2C3CC3)C

InChI

InChI=1S/C17H22N4O4S2/c1-4-11-9(3)27-14(13(11)15(23)25-5-2)18-12(22)8-26-17-20-19-16(24)21(17)10-6-7-10/h10H,4-8H2,1-3H3,(H,18,22)(H,19,24)