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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OC)N2C(=NN=C2SCC)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OC)N2C(=NN=C2SCC)N

InChI

InChI=1S/C16H23N5O3S2/c1-6-10(21-15(17)19-20-16(21)25-7-2)12(22)18-13-11(14(23)24-5)8(3)9(4)26-13/h10H,6-7H2,1-5H3,(H2,17,19)(H,18,22)