ethyl 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H23N5O3S2 MolecularWeight: 397.51552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)N2C(=NN=C2SCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)N2C(=NN=C2SCC)N

InChI

InChI=1S/C16H23N5O3S2/c1-6-24-14(23)11-8(3)10(5)26-13(11)18-12(22)9(4)21-15(17)19-20-16(21)25-7-2/h9H,6-7H2,1-5H3,(H2,17,19)(H,18,22)