ethyl 5-propan-2-yl-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-propan-2-yl-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-isopropyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-propan-2-yl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-isopropyl-2-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C14H18N4O3S2 MolecularWeight: 354.44772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CSC2=NC=NN2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CSC2=NC=NN2

InChI

InChI=1S/C14H18N4O3S2/c1-4-21-13(20)9-5-10(8(2)3)23-12(9)17-11(19)6-22-14-15-7-16-18-14/h5,7-8H,4,6H2,1-3H3,(H,17,19)(H,15,16,18)