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

Systemtic Name: methyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N)C

InChI

InChI=1S/C21H25N5O3S2/c1-12-14(3)31-18(16(12)19(28)29-4)23-17(27)13(2)26-20(22)24-25-21(26)30-11-10-15-8-6-5-7-9-15/h5-9,13H,10-11H2,1-4H3,(H2,22,24)(H,23,27)