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

Systemtic Name: methyl 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[3-amino-5-(methylthio)-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-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C15H21N5O3S2 MolecularWeight: 383.48894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OC)N2C(=NN=C2SC)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OC)N2C(=NN=C2SC)N

InChI

InChI=1S/C15H21N5O3S2/c1-6-9(20-14(16)18-19-15(20)24-5)11(21)17-12-10(13(22)23-4)7(2)8(3)25-12/h9H,6H2,1-5H3,(H2,16,18)(H,17,21)