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

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-2-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CSC3=NC=NN3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CSC3=NC=NN3

InChI

InChI=1S/C18H18N4O4S2/c1-3-26-17(24)15-13(11-4-6-12(25-2)7-5-11)8-27-16(15)21-14(23)9-28-18-19-10-20-22-18/h4-8,10H,3,9H2,1-2H3,(H,21,23)(H,19,20,22)