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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H18N4O3S3 MolecularWeight: 422.54482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C17H18N4O3S3/c1-4-24-16(23)13-9(2)10(3)27-15(13)18-12(22)8-26-17-19-14(20-21-17)11-6-5-7-25-11/h5-7H,4,8H2,1-3H3,(H,18,22)(H,19,20,21)